data_A1AZV
# 
_chem_comp.id                                    A1AZV 
_chem_comp.name                                  "(2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C47 H60 N6 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-25 
_chem_comp.pdbx_modified_date                    2025-07-18 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        821.015 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AZV 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        9CT7 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
A1AZV C1  C1  C 0 1 N N S N N N 31.942 -11.135 32.764 -2.563 -3.445 2.096  C1  A1AZV 1   
A1AZV C10 C2  C 0 1 N N N N N N 27.769 -10.808 29.845 2.402  -1.368 0.190  C10 A1AZV 2   
A1AZV C11 C3  C 0 1 Y N N N N N 27.338 -12.168 29.383 3.125  -0.081 0.495  C11 A1AZV 3   
A1AZV C12 C4  C 0 1 Y N N N N N 26.401 -12.446 28.397 4.469  0.101  0.527  C12 A1AZV 4   
A1AZV C13 C5  C 0 1 Y N N N N N 25.610 -11.489 27.606 5.478  -0.953 0.283  C13 A1AZV 5   
A1AZV C14 C6  C 0 1 Y N N N N N 25.742 -11.378 26.200 5.862  -1.279 -1.018 C14 A1AZV 6   
A1AZV C15 C7  C 0 1 N N S N N N 26.717 -12.223 25.407 5.243  -0.552 -2.184 C15 A1AZV 7   
A1AZV C16 C8  C 0 1 N N N N N N 27.576 -11.380 24.491 4.227  -1.465 -2.874 C16 A1AZV 8   
A1AZV C17 C9  C 0 1 N N N N N N 26.658 -14.260 24.164 5.983  1.005  -3.849 C17 A1AZV 9   
A1AZV C18 C10 C 0 1 Y N N N N N 24.126 -9.736  26.151 7.330  -2.880 -0.247 C18 A1AZV 10  
A1AZV C19 C11 C 0 1 Y N N N N N 23.924 -9.790  27.510 7.007  -2.612 1.071  C19 A1AZV 11  
A1AZV C2  C12 C 0 1 N N N N N N 32.268 -9.637  32.810 -3.539 -4.561 1.744  C2  A1AZV 12  
A1AZV C20 C13 C 0 1 Y N N N N N 24.678 -10.676 28.243 6.068  -1.635 1.353  C20 A1AZV 13  
A1AZV C21 C14 C 0 1 N N N N N N 25.295 -14.540 27.448 6.095  1.981  0.944  C21 A1AZV 14  
A1AZV C22 C15 C 0 1 N N N N N N 24.008 -14.730 28.215 6.558  2.495  -0.421 C22 A1AZV 15  
A1AZV C23 C16 C 0 1 Y N N N N N 27.084 -14.440 29.216 3.577  2.118  0.984  C23 A1AZV 16  
A1AZV C24 C17 C 0 1 Y N N N N N 27.785 -13.429 29.902 2.514  1.208  0.816  C24 A1AZV 17  
A1AZV C25 C18 C 0 1 Y N N N N N 28.704 -13.796 30.883 1.196  1.641  0.973  C25 A1AZV 18  
A1AZV C26 C19 C 0 1 Y N N N N N 28.912 -15.145 31.165 0.947  2.973  1.270  C26 A1AZV 19  
A1AZV C27 C20 C 0 1 Y N N N N N 28.208 -16.128 30.446 2.009  3.874  1.403  C27 A1AZV 20  
A1AZV C28 C21 C 0 1 Y N N N N N 27.277 -15.792 29.484 3.301  3.453  1.267  C28 A1AZV 21  
A1AZV C29 C22 C 0 1 Y N N N N N 29.909 -15.557 32.186 -0.448 3.440  1.467  C29 A1AZV 22  
A1AZV C3  C23 C 0 1 N N N N N N 32.768 -9.212  34.180 -4.962 -4.034 1.596  C3  A1AZV 23  
A1AZV C30 C24 C 0 1 Y N N N N N 30.480 -16.833 32.151 -0.707 4.792  1.680  C30 A1AZV 24  
A1AZV C31 C25 C 0 1 Y N N N N N 31.428 -17.194 33.097 -2.011 5.220  1.868  C31 A1AZV 25  
A1AZV C32 C26 C 0 1 Y N N N N N 31.799 -16.301 34.094 -3.054 4.305  1.849  C32 A1AZV 26  
A1AZV C33 C27 C 0 1 Y N N N N N 31.229 -15.035 34.152 -2.796 2.962  1.640  C33 A1AZV 27  
A1AZV C34 C28 C 0 1 Y N N N N N 30.305 -14.672 33.191 -1.500 2.527  1.448  C34 A1AZV 28  
A1AZV C35 C29 C 0 1 N N N N N N 31.672 -14.058 35.207 -3.933 1.972  1.627  C35 A1AZV 29  
A1AZV C36 C30 C 0 1 N N S N N N 33.195 -13.872 35.158 -3.376 0.551  1.533  C36 A1AZV 30  
A1AZV C37 C31 C 0 1 N N N N N N 34.773 -15.670 35.619 -3.935 0.247  -0.819 C37 A1AZV 31  
A1AZV C38 C32 C 0 1 N N S N N N 35.230 -16.712 36.630 -3.530 0.061  -2.259 C38 A1AZV 32  
A1AZV C39 C33 C 0 1 N N N N N N 36.736 -16.680 36.876 -3.217 1.423  -2.880 C39 A1AZV 33  
A1AZV C4  C34 C 0 1 N N N N N N 33.916 -10.104 34.607 -5.158 -2.737 2.382  C4  A1AZV 34  
A1AZV C40 C35 C 0 1 N N N N N N 37.222 -15.339 37.449 -2.007 2.060  -2.173 C40 A1AZV 35  
A1AZV C41 C36 C 0 1 N N N N N N 37.597 -15.648 38.889 -0.918 2.250  -3.249 C41 A1AZV 36  
A1AZV C42 C37 C 0 1 N N N N N N 38.231 -16.993 38.749 -1.705 2.302  -4.582 C42 A1AZV 37  
A1AZV C43 C38 C 0 1 N N N N N N 37.224 -17.733 37.883 -2.820 1.250  -4.361 C43 A1AZV 38  
A1AZV C44 C39 C 0 1 N N N N N N 35.350 -18.786 35.186 -5.888 0.148  -3.193 C44 A1AZV 39  
A1AZV C45 C40 C 0 1 N N N N N N 33.477 -18.379 36.759 -4.476 -1.814 -3.494 C45 A1AZV 40  
A1AZV C46 C41 C 0 1 N N N N N N 32.928 -19.714 36.372 -3.224 -2.598 -3.196 C46 A1AZV 41  
A1AZV C47 C42 C 0 1 N N N N N N 33.564 -12.441 35.492 -4.424 -0.438 1.977  C47 A1AZV 42  
A1AZV C5  C43 C 0 1 N N N N N N 31.629 -11.522 31.343 -1.168 -3.810 1.654  C5  A1AZV 43  
A1AZV C6  C44 C 0 1 N N N N N N 30.253 -11.036 29.482 1.112  -3.251 1.204  C6  A1AZV 44  
A1AZV C7  C45 C 0 1 N N N N N N 29.017 -10.188 29.198 2.092  -2.112 1.488  C7  A1AZV 45  
A1AZV C8  C46 C 0 1 N N N N N N 29.213 -8.790  29.797 1.470  -1.142 2.495  C8  A1AZV 46  
A1AZV C9  C47 C 0 1 N N N N N N 28.827 -10.033 27.687 3.387  -2.686 2.068  C9  A1AZV 47  
A1AZV N1  N1  N 0 1 N N R N N N 33.520 -11.515 34.468 -4.168 -1.757 1.918  N1  A1AZV 48  
A1AZV N2  N2  N 0 1 N N N N N N 33.096 -11.929 33.187 -2.968 -2.201 1.423  N2  A1AZV 49  
A1AZV N3  N3  N 0 1 Y N N N N N 25.001 -10.498 25.504 6.761  -2.217 -1.236 N3  A1AZV 50  
A1AZV N4  N4  N 0 1 Y N N N N N 26.260 -13.832 28.288 4.750  1.415  0.822  N4  A1AZV 51  
A1AZV N5  N5  N 0 1 N N N N N N 33.867 -14.797 36.055 -2.995 0.268  0.147  N5  A1AZV 52  
A1AZV N6  N6  N 0 1 N N N N N N 34.664 -18.002 36.215 -4.627 -0.571 -2.996 N6  A1AZV 53  
A1AZV O1  O1  O 0 1 N N N N N N 32.311 -12.250 30.672 -0.901 -4.949 1.350  O1  A1AZV 54  
A1AZV O2  O2  O 0 1 N N N N N N 30.522 -10.921 30.910 -0.226 -2.854 1.601  O2  A1AZV 55  
A1AZV O3  O3  O 0 1 N N N N N N 25.942 -13.111 24.597 6.265  -0.188 -3.114 O3  A1AZV 56  
A1AZV O4  O4  O 0 1 N N N N N N 31.993 -18.438 33.064 -2.270 6.538  2.071  O4  A1AZV 57  
A1AZV O5  O5  O 0 1 N N N N N N 32.872 -17.641 37.535 -5.348 -2.303 -4.181 O5  A1AZV 58  
A1AZV O6  O6  O 0 1 N N N N N N 35.214 -15.682 34.473 -5.105 0.378  -0.530 O6  A1AZV 59  
A1AZV O7  O7  O 0 1 N N N N N N 33.952 -12.127 36.611 -5.496 -0.044 2.387  O7  A1AZV 60  
A1AZV H2  H1  H 0 1 N N N N N N 31.075 -11.342 33.408 -2.564 -3.284 3.176  H2  A1AZV 61  
A1AZV H17 H2  H 0 1 N N N N N N 27.960 -10.875 30.926 1.471  -1.145 -0.331 H17 A1AZV 62  
A1AZV H18 H3  H 0 1 N N N N N N 26.930 -10.120 29.663 3.029  -1.994 -0.445 H18 A1AZV 63  
A1AZV H19 H4  H 0 1 N N N N N N 27.360 -12.788 26.098 4.740  0.347  -1.826 H19 A1AZV 64  
A1AZV H20 H5  H 0 1 N N N N N N 28.268 -12.030 23.935 3.448  -1.743 -2.164 H20 A1AZV 65  
A1AZV H21 H6  H 0 1 N N N N N N 26.933 -10.838 23.782 3.780  -0.939 -3.717 H21 A1AZV 66  
A1AZV H22 H7  H 0 1 N N N N N N 28.152 -10.659 25.090 4.731  -2.363 -3.231 H22 A1AZV 67  
A1AZV H23 H8  H 0 1 N N N N N N 26.000 -14.892 23.549 6.806  1.214  -4.533 H23 A1AZV 68  
A1AZV H25 H9  H 0 1 N N N N N N 27.528 -13.947 23.567 5.063  0.873  -4.418 H25 A1AZV 69  
A1AZV H24 H10 H 0 1 N N N N N N 27.001 -14.830 25.040 5.866  1.839  -3.157 H24 A1AZV 70  
A1AZV H26 H11 H 0 1 N N N N N N 23.540 -9.034  25.577 8.062  -3.641 -0.471 H26 A1AZV 71  
A1AZV H27 H12 H 0 1 N N N N N N 23.194 -9.154  27.988 7.483  -3.159 1.871  H27 A1AZV 72  
A1AZV H3  H13 H 0 1 N N N N N N 33.046 -9.418  32.063 -3.230 -5.021 0.805  H3  A1AZV 73  
A1AZV H4  H14 H 0 1 N N N N N N 31.358 -9.067  32.570 -3.518 -5.314 2.532  H4  A1AZV 74  
A1AZV H28 H15 H 0 1 N N N N N N 24.547 -10.741 29.313 5.798  -1.405 2.373  H28 A1AZV 75  
A1AZV H30 H16 H 0 1 N N N N N N 25.098 -13.952 26.540 6.783  1.212  1.295  H30 A1AZV 76  
A1AZV H29 H17 H 0 1 N N N N N N 25.704 -15.522 27.167 6.079  2.806  1.656  H29 A1AZV 77  
A1AZV H33 H18 H 0 1 N N N N N N 23.280 -15.263 27.585 5.871  3.264  -0.772 H33 A1AZV 78  
A1AZV H31 H19 H 0 1 N N N N N N 24.206 -15.318 29.123 7.560  2.916  -0.330 H31 A1AZV 79  
A1AZV H32 H20 H 0 1 N N N N N N 23.600 -13.748 28.496 6.575  1.670  -1.133 H32 A1AZV 80  
A1AZV H34 H21 H 0 1 N N N N N N 29.253 -13.038 31.423 0.378  0.945  0.863  H34 A1AZV 81  
A1AZV H35 H22 H 0 1 N N N N N N 28.401 -17.171 30.652 1.806  4.913  1.615  H35 A1AZV 82  
A1AZV H36 H23 H 0 1 N N N N N N 26.718 -16.552 28.958 4.111  4.158  1.378  H36 A1AZV 83  
A1AZV H5  H24 H 0 1 N N N N N N 33.113 -8.169  34.135 -5.165 -3.846 0.542  H5  A1AZV 84  
A1AZV H6  H25 H 0 1 N N N N N N 31.949 -9.296  34.910 -5.661 -4.785 1.965  H6  A1AZV 85  
A1AZV H37 H26 H 0 1 N N N N N N 30.183 -17.537 31.388 0.105  5.503  1.699  H37 A1AZV 86  
A1AZV H39 H27 H 0 1 N N N N N N 32.535 -16.592 34.829 -4.070 4.641  1.997  H39 A1AZV 87  
A1AZV H40 H28 H 0 1 N N N N N N 29.879 -13.680 33.218 -1.302 1.478  1.282  H40 A1AZV 88  
A1AZV H42 H29 H 0 1 N N N N N N 31.183 -13.089 35.032 -4.514 2.075  2.544  H42 A1AZV 89  
A1AZV H41 H30 H 0 1 N N N N N N 31.385 -14.440 36.198 -4.575 2.168  0.768  H41 A1AZV 90  
A1AZV H43 H31 H 0 1 N N N N N N 33.524 -14.076 34.128 -2.500 0.462  2.175  H43 A1AZV 91  
A1AZV H45 H32 H 0 1 N N N N N N 34.755 -16.446 37.586 -2.646 -0.573 -2.309 H45 A1AZV 92  
A1AZV H46 H33 H 0 1 N N N N N N 37.249 -16.853 35.918 -4.084 2.079  -2.799 H46 A1AZV 93  
A1AZV H8  H34 H 0 1 N N N N N N 34.791 -9.905  33.971 -6.163 -2.353 2.210  H8  A1AZV 94  
A1AZV H7  H35 H 0 1 N N N N N N 34.171 -9.896  35.657 -5.017 -2.929 3.446  H7  A1AZV 95  
A1AZV H47 H36 H 0 1 N N N N N N 38.096 -14.973 36.891 -2.287 3.024  -1.750 H47 A1AZV 96  
A1AZV H48 H37 H 0 1 N N N N N N 36.420 -14.587 37.410 -1.644 1.398  -1.387 H48 A1AZV 97  
A1AZV H49 H38 H 0 1 N N N N N N 38.307 -14.908 39.287 -0.381 3.185  -3.086 H49 A1AZV 98  
A1AZV H50 H39 H 0 1 N N N N N N 36.708 -15.688 39.536 -0.227 1.407  -3.246 H50 A1AZV 99  
A1AZV H52 H40 H 0 1 N N N N N N 39.210 -16.923 38.252 -2.134 3.292  -4.739 H52 A1AZV 100 
A1AZV H51 H41 H 0 1 N N N N N N 38.351 -17.481 39.727 -1.067 2.019  -5.419 H51 A1AZV 101 
A1AZV H53 H42 H 0 1 N N N N N N 37.703 -18.576 37.363 -2.437 0.245  -4.538 H53 A1AZV 102 
A1AZV H54 H43 H 0 1 N N N N N N 36.387 -18.106 38.492 -3.672 1.454  -5.010 H54 A1AZV 103 
A1AZV H56 H44 H 0 1 N N N N N N 34.792 -19.716 35.000 -5.876 0.646  -4.162 H56 A1AZV 104 
A1AZV H55 H45 H 0 1 N N N N N N 35.407 -18.201 34.256 -6.718 -0.557 -3.157 H55 A1AZV 105 
A1AZV H57 H46 H 0 1 N N N N N N 36.366 -19.031 35.528 -6.009 0.891  -2.405 H57 A1AZV 106 
A1AZV H59 H47 H 0 1 N N N N N N 31.965 -19.876 36.879 -3.253 -3.547 -3.731 H59 A1AZV 107 
A1AZV H58 H48 H 0 1 N N N N N N 32.778 -19.747 35.283 -2.353 -2.027 -3.517 H58 A1AZV 108 
A1AZV H60 H49 H 0 1 N N N N N N 33.636 -20.502 36.669 -3.159 -2.787 -2.125 H60 A1AZV 109 
A1AZV H9  H50 H 0 1 N N N N N N 31.110 -10.662 28.904 1.121  -3.481 0.139  H9  A1AZV 110 
A1AZV H10 H51 H 0 1 N N N N N N 30.061 -12.086 29.216 1.410  -4.135 1.768  H10 A1AZV 111 
A1AZV H12 H52 H 0 1 N N N N N N 28.323 -8.176  29.594 1.250  -1.672 3.422  H12 A1AZV 112 
A1AZV H13 H53 H 0 1 N N N N N N 29.360 -8.874  30.884 2.168  -0.330 2.697  H13 A1AZV 113 
A1AZV H11 H54 H 0 1 N N N N N N 30.096 -8.317  29.343 0.547  -0.733 2.082  H11 A1AZV 114 
A1AZV H16 H55 H 0 1 N N N N N N 27.935 -9.421  27.490 3.903  -3.264 1.301  H16 A1AZV 115 
A1AZV H14 H56 H 0 1 N N N N N N 29.711 -9.542  27.255 4.029  -1.870 2.401  H14 A1AZV 116 
A1AZV H15 H57 H 0 1 N N N N N N 28.699 -11.025 27.230 3.151  -3.332 2.913  H15 A1AZV 117 
A1AZV H1  H58 H 0 1 N N N N N N 33.843 -11.803 32.534 -3.014 -2.330 0.423  H1  A1AZV 118 
A1AZV H44 H59 H 0 1 N N N N N N 33.642 -14.777 37.029 -2.067 0.095  -0.075 H44 A1AZV 119 
A1AZV H38 H60 H 0 1 N N N N N N 32.617 -18.522 33.776 -2.431 7.038  1.259  H38 A1AZV 120 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1AZV N1  N2  SING N N 1   
A1AZV N2  C1  SING N N 2   
A1AZV C1  C2  SING N N 3   
A1AZV C2  C3  SING N N 4   
A1AZV C3  C4  SING N N 5   
A1AZV C1  C5  SING N N 6   
A1AZV C5  O1  DOUB N N 7   
A1AZV C5  O2  SING N N 8   
A1AZV O2  C6  SING N N 9   
A1AZV C6  C7  SING N N 10  
A1AZV C7  C8  SING N N 11  
A1AZV C7  C9  SING N N 12  
A1AZV C7  C10 SING N N 13  
A1AZV C10 C11 SING N N 14  
A1AZV C11 C12 DOUB Y N 15  
A1AZV C12 C13 SING N N 16  
A1AZV C13 C14 DOUB Y N 17  
A1AZV C14 C15 SING N N 18  
A1AZV C15 C16 SING N N 19  
A1AZV C15 O3  SING N N 20  
A1AZV O3  C17 SING N N 21  
A1AZV C14 N3  SING Y N 22  
A1AZV N3  C18 DOUB Y N 23  
A1AZV C18 C19 SING Y N 24  
A1AZV C19 C20 DOUB Y N 25  
A1AZV C12 N4  SING Y N 26  
A1AZV N4  C21 SING N N 27  
A1AZV C21 C22 SING N N 28  
A1AZV N4  C23 SING Y N 29  
A1AZV C23 C24 DOUB Y N 30  
A1AZV C24 C25 SING Y N 31  
A1AZV C25 C26 DOUB Y N 32  
A1AZV C26 C27 SING Y N 33  
A1AZV C27 C28 DOUB Y N 34  
A1AZV C26 C29 SING N N 35  
A1AZV C29 C30 DOUB Y N 36  
A1AZV C30 C31 SING Y N 37  
A1AZV C31 O4  SING N N 38  
A1AZV C31 C32 DOUB Y N 39  
A1AZV C32 C33 SING Y N 40  
A1AZV C33 C34 DOUB Y N 41  
A1AZV C33 C35 SING N N 42  
A1AZV C35 C36 SING N N 43  
A1AZV C36 N5  SING N N 44  
A1AZV N5  C37 SING N N 45  
A1AZV C37 C38 SING N N 46  
A1AZV C38 C39 SING N N 47  
A1AZV C39 C40 SING N N 48  
A1AZV C40 C41 SING N N 49  
A1AZV C41 C42 SING N N 50  
A1AZV C42 C43 SING N N 51  
A1AZV C38 N6  SING N N 52  
A1AZV N6  C44 SING N N 53  
A1AZV N6  C45 SING N N 54  
A1AZV C45 O5  DOUB N N 55  
A1AZV C45 C46 SING N N 56  
A1AZV C37 O6  DOUB N N 57  
A1AZV C36 C47 SING N N 58  
A1AZV C47 O7  DOUB N N 59  
A1AZV N1  C4  SING N N 60  
A1AZV C11 C24 SING Y N 61  
A1AZV C29 C34 SING Y N 62  
A1AZV C39 C43 SING N N 63  
A1AZV N1  C47 SING N N 64  
A1AZV C13 C20 SING Y N 65  
A1AZV C23 C28 SING Y N 66  
A1AZV C1  H2  SING N N 67  
A1AZV C10 H17 SING N N 68  
A1AZV C10 H18 SING N N 69  
A1AZV C15 H19 SING N N 70  
A1AZV C16 H20 SING N N 71  
A1AZV C16 H21 SING N N 72  
A1AZV C16 H22 SING N N 73  
A1AZV C17 H23 SING N N 74  
A1AZV C17 H25 SING N N 75  
A1AZV C17 H24 SING N N 76  
A1AZV C18 H26 SING N N 77  
A1AZV C19 H27 SING N N 78  
A1AZV C2  H3  SING N N 79  
A1AZV C2  H4  SING N N 80  
A1AZV C20 H28 SING N N 81  
A1AZV C21 H30 SING N N 82  
A1AZV C21 H29 SING N N 83  
A1AZV C22 H33 SING N N 84  
A1AZV C22 H31 SING N N 85  
A1AZV C22 H32 SING N N 86  
A1AZV C25 H34 SING N N 87  
A1AZV C27 H35 SING N N 88  
A1AZV C28 H36 SING N N 89  
A1AZV C3  H5  SING N N 90  
A1AZV C3  H6  SING N N 91  
A1AZV C30 H37 SING N N 92  
A1AZV C32 H39 SING N N 93  
A1AZV C34 H40 SING N N 94  
A1AZV C35 H42 SING N N 95  
A1AZV C35 H41 SING N N 96  
A1AZV C36 H43 SING N N 97  
A1AZV C38 H45 SING N N 98  
A1AZV C39 H46 SING N N 99  
A1AZV C4  H8  SING N N 100 
A1AZV C4  H7  SING N N 101 
A1AZV C40 H47 SING N N 102 
A1AZV C40 H48 SING N N 103 
A1AZV C41 H49 SING N N 104 
A1AZV C41 H50 SING N N 105 
A1AZV C42 H52 SING N N 106 
A1AZV C42 H51 SING N N 107 
A1AZV C43 H53 SING N N 108 
A1AZV C43 H54 SING N N 109 
A1AZV C44 H56 SING N N 110 
A1AZV C44 H55 SING N N 111 
A1AZV C44 H57 SING N N 112 
A1AZV C46 H59 SING N N 113 
A1AZV C46 H58 SING N N 114 
A1AZV C46 H60 SING N N 115 
A1AZV C6  H9  SING N N 116 
A1AZV C6  H10 SING N N 117 
A1AZV C8  H12 SING N N 118 
A1AZV C8  H13 SING N N 119 
A1AZV C8  H11 SING N N 120 
A1AZV C9  H16 SING N N 121 
A1AZV C9  H14 SING N N 122 
A1AZV C9  H15 SING N N 123 
A1AZV N2  H1  SING N N 124 
A1AZV N5  H44 SING N N 125 
A1AZV O4  H38 SING N N 126 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
A1AZV SMILES           ACDLabs              12.01 "CC(=O)N(C)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC"                                                                                                                                                                                                                             
A1AZV InChI            InChI                1.06  "InChI=1S/C47H60N6O7/c1-8-52-40-18-17-32-25-36(40)37(43(52)35-15-11-19-48-41(35)28(2)59-7)26-47(4,5)27-60-46(58)38-16-12-20-53(50-38)45(57)39(23-30-21-33(32)24-34(55)22-30)49-44(56)42(51(6)29(3)54)31-13-9-10-14-31/h11,15,17-19,21-22,24-25,28,31,38-39,42,50,55H,8-10,12-14,16,20,23,26-27H2,1-7H3,(H,49,56)/t28-,38+,39?,42?/m1/s1" 
A1AZV InChIKey         InChI                1.06  MKRNLNKKKZHBNP-FNQLVOKESA-N                                                                                                                                                                                                                                                                                                              
A1AZV SMILES_CANONICAL CACTVS               3.385 "CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](Cc5cc(O)cc3c5)NC(=O)[C@H](C6CCCC6)N(C)C(C)=O)c1c7cccnc7[C@H](C)OC"                                                                                                                                                                                                          
A1AZV SMILES           CACTVS               3.385 "CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5cc(O)cc3c5)NC(=O)[CH](C6CCCC6)N(C)C(C)=O)c1c7cccnc7[CH](C)OC"                                                                                                                                                                                                                 
A1AZV SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCn1c2ccc-3cc2c(c1c4cccnc4[C@H](C)OC)CC(COC(=O)[C@@H]5CCCN(N5)C(=O)[C@H](Cc6cc3cc(c6)O)NC(=O)[C@H](C7CCCC7)N(C)C(=O)C)(C)C"                                                                                                                                                                                                             
A1AZV SMILES           "OpenEye OEToolkits" 2.0.7 "CCn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC(=O)C5CCCN(N5)C(=O)C(Cc6cc3cc(c6)O)NC(=O)C(C7CCCC7)N(C)C(=O)C)(C)C"                                                                                                                                                                                                                              
# 
_pdbx_chem_comp_identifier.comp_id           A1AZV 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   12.01 
_pdbx_chem_comp_identifier.identifier        "(2R)-2-cyclopentyl-N-[(1M,8S,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-2-(N-methylacetamido)acetamide (non-preferred name)" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AZV "Create component" 2024-07-25 RCSB 
A1AZV "Initial release"  2025-07-23 RCSB 
# 
