data_A1LZ2
# 
_chem_comp.id                                    A1LZ2 
_chem_comp.name                                  "(1~{R},2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)-1-[5-[(2~{S})-2-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]pentyl]piperidin-1-ium-2-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H57 N4 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2024-04-02 
_chem_comp.pdbx_modified_date                    2025-01-24 
_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                        589.874 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LZ2 
_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        8YCP 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_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 
A1LZ2 C10 C1  C 0 1 N N N N N N 141.846 171.499 142.846 -5.986 1.367  -3.432 C10 A1LZ2 1   
A1LZ2 C13 C2  C 0 1 N N N N N N 142.922 173.643 146.317 -1.544 1.923  0.142  C13 A1LZ2 2   
A1LZ2 C15 C3  C 0 1 N N N N N N 140.359 174.055 146.676 0.905  2.223  0.529  C15 A1LZ2 3   
A1LZ2 C20 C4  C 0 1 N N N N N N 139.057 169.353 146.933 5.589  4.006  1.827  C20 A1LZ2 4   
A1LZ2 C21 C5  C 0 1 N N N N N N 139.131 169.676 145.539 5.684  2.515  1.494  C21 A1LZ2 5   
A1LZ2 C22 C6  C 0 1 N N S N N N 138.909 171.154 145.179 4.664  2.175  0.404  C22 A1LZ2 6   
A1LZ2 C26 C7  C 0 1 Y N N N N N 135.058 171.146 142.215 5.395  -1.499 -2.446 C26 A1LZ2 7   
A1LZ2 C28 C8  C 0 1 Y N N N N N 133.719 171.369 141.922 5.424  -2.838 -2.781 C28 A1LZ2 8   
A1LZ2 C01 C9  C 0 1 N N N N N N 149.464 175.788 143.228 -0.759 -2.526 2.379  C01 A1LZ2 9   
A1LZ2 C02 C10 C 0 1 Y N N N N N 149.799 174.517 142.437 -1.796 -3.392 1.712  C02 A1LZ2 10  
A1LZ2 C03 C11 C 0 1 Y N N N N N 148.960 173.393 142.461 -3.037 -2.863 1.383  C03 A1LZ2 11  
A1LZ2 C05 C12 C 0 1 N N N N N N 146.601 174.257 142.802 -3.583 -0.659 0.671  C05 A1LZ2 12  
A1LZ2 C06 C13 C 0 1 N N S N N N 145.260 174.500 143.530 -3.962 0.765  0.985  C06 A1LZ2 13  
A1LZ2 C08 C14 C 0 1 N N N N N N 144.216 172.310 143.453 -4.943 1.045  -1.185 C08 A1LZ2 14  
A1LZ2 C09 C15 C 0 1 N N N N N N 142.986 171.475 143.865 -4.860 1.821  -2.501 C09 A1LZ2 15  
A1LZ2 C11 C16 C 0 1 N N N N N N 141.213 170.131 142.567 -5.904 2.142  -4.748 C11 A1LZ2 16  
A1LZ2 C12 C17 C 0 1 N N N N N N 143.356 174.012 144.869 -2.604 1.465  -0.862 C12 A1LZ2 17  
A1LZ2 C14 C18 C 0 1 N N N N N N 141.806 174.576 146.881 -0.154 1.765  -0.475 C14 A1LZ2 18  
A1LZ2 C16 C19 C 0 1 N N N N N N 140.290 172.620 146.078 2.296  2.065  -0.088 C16 A1LZ2 19  
A1LZ2 C18 C20 C 0 1 N N N N N N 139.016 171.696 147.576 3.185  3.941  1.158  C18 A1LZ2 20  
A1LZ2 C19 C21 C 0 1 N N N N N N 138.330 170.339 147.689 4.161  4.333  2.270  C19 A1LZ2 21  
A1LZ2 C23 C22 C 0 1 N N N N N N 137.435 171.307 144.706 4.740  0.704  0.087  C23 A1LZ2 22  
A1LZ2 C25 C23 C 0 1 Y N N N N N 135.413 170.580 143.434 5.675  -1.104 -1.144 C25 A1LZ2 23  
A1LZ2 C27 C24 C 0 1 N N N N N N 136.133 171.520 141.194 5.066  -0.466 -3.493 C27 A1LZ2 24  
A1LZ2 C29 C25 C 0 1 Y N N N N N 132.736 171.032 142.842 5.731  -3.786 -1.822 C29 A1LZ2 25  
A1LZ2 C30 C26 C 0 1 Y N N N N N 133.091 170.471 144.058 6.011  -3.397 -0.525 C30 A1LZ2 26  
A1LZ2 C31 C27 C 0 1 Y N N N N N 134.432 170.252 144.345 5.984  -2.059 -0.184 C31 A1LZ2 27  
A1LZ2 C32 C28 C 0 1 N N N N N N 134.851 169.630 145.672 6.288  -1.635 1.230  C32 A1LZ2 28  
A1LZ2 C34 C29 C 0 1 N N N N N N 145.470 172.926 145.411 -4.228 2.966  0.059  C34 A1LZ2 29  
A1LZ2 C35 C30 C 0 1 N N N N N N 146.304 173.990 146.134 -5.645 3.083  0.625  C35 A1LZ2 30  
A1LZ2 C36 C31 C 0 1 N N N N N N 146.630 175.260 145.418 -5.749 2.247  1.903  C36 A1LZ2 31  
A1LZ2 C37 C32 C 0 1 N N N N N N 145.613 175.664 144.428 -5.369 0.798  1.586  C37 A1LZ2 32  
A1LZ2 C39 C33 C 0 1 Y N N N N N 149.328 172.276 141.725 -3.990 -3.664 0.768  C39 A1LZ2 33  
A1LZ2 C40 C34 C 0 1 N N N N N N 148.471 171.027 141.713 -5.338 -3.093 0.410  C40 A1LZ2 34  
A1LZ2 C41 C35 C 0 1 Y N N N N N 150.494 172.266 140.979 -3.701 -4.984 0.485  C41 A1LZ2 35  
A1LZ2 C42 C36 C 0 1 Y N N N N N 151.315 173.384 140.958 -2.464 -5.509 0.813  C42 A1LZ2 36  
A1LZ2 C43 C37 C 0 1 Y N N N N N 150.960 174.508 141.692 -1.511 -4.712 1.421  C43 A1LZ2 37  
A1LZ2 N04 N1  N 0 1 N N N N N N 147.735 173.441 143.270 -3.327 -1.525 1.672  N04 A1LZ2 38  
A1LZ2 N07 N2  N 1 1 N N S N N N 144.584 173.429 144.339 -3.935 1.561  -0.249 N07 A1LZ2 39  
A1LZ2 N17 N3  N 0 1 N N N N N N 139.183 172.130 146.224 3.313  2.505  0.876  N17 A1LZ2 40  
A1LZ2 N24 N4  N 0 1 N N N N N N 136.807 170.335 143.797 5.648  0.252  -0.801 N24 A1LZ2 41  
A1LZ2 O33 O1  O 0 1 N N N N N N 136.792 172.217 145.095 3.984  -0.073 0.630  O33 A1LZ2 42  
A1LZ2 O38 O2  O 0 1 N N N N N N 146.758 174.840 141.792 -3.509 -1.027 -0.482 O38 A1LZ2 43  
A1LZ2 H1  H1  H 0 1 N N N N N N 142.241 171.895 141.898 -5.884 0.300  -3.632 H1  A1LZ2 44  
A1LZ2 H2  H2  H 0 1 N N N N N N 141.061 172.170 143.225 -6.949 1.557  -2.958 H2  A1LZ2 45  
A1LZ2 H3  H3  H 0 1 N N N N N N 142.546 172.609 146.317 -1.713 2.970  0.395  H3  A1LZ2 46  
A1LZ2 H4  H4  H 0 1 N N N N N N 143.801 173.713 146.974 -1.613 1.316  1.045  H4  A1LZ2 47  
A1LZ2 H5  H5  H 0 1 N N N N N N 139.836 174.741 145.993 0.737  3.270  0.782  H5  A1LZ2 48  
A1LZ2 H6  H6  H 0 1 N N N N N N 139.850 174.050 147.651 0.837  1.616  1.432  H6  A1LZ2 49  
A1LZ2 H7  H7  H 0 1 N N N N N N 138.553 168.381 147.044 6.284  4.244  2.633  H7  A1LZ2 50  
A1LZ2 H8  H8  H 0 1 N N N N N N 140.079 169.284 147.334 5.841  4.594  0.945  H8  A1LZ2 51  
A1LZ2 H9  H9  H 0 1 N N N N N N 138.367 169.083 145.015 6.688  2.284  1.137  H9  A1LZ2 52  
A1LZ2 H10 H10 H 0 1 N N N N N N 140.130 169.388 145.179 5.471  1.928  2.387  H10 A1LZ2 53  
A1LZ2 H11 H11 H 0 1 N N N N N N 139.552 171.381 144.316 4.886  2.752  -0.494 H11 A1LZ2 54  
A1LZ2 H12 H12 H 0 1 N N N N N N 133.441 171.806 140.974 5.207  -3.146 -3.793 H12 A1LZ2 55  
A1LZ2 H13 H13 H 0 1 N N N N N N 148.863 176.463 142.601 -0.871 -2.594 3.461  H13 A1LZ2 56  
A1LZ2 H14 H14 H 0 1 N N N N N N 148.893 175.519 144.129 0.236  -2.866 2.095  H14 A1LZ2 57  
A1LZ2 H15 H15 H 0 1 N N N N N N 150.396 176.293 143.522 -0.893 -1.491 2.065  H15 A1LZ2 58  
A1LZ2 H16 H16 H 0 1 N N N N N N 144.541 174.861 142.780 -3.252 1.180  1.700  H16 A1LZ2 59  
A1LZ2 H17 H17 H 0 1 N N N N N N 145.078 171.629 143.400 -5.936 1.167  -0.753 H17 A1LZ2 60  
A1LZ2 H18 H18 H 0 1 N N N N N N 144.016 172.727 142.455 -4.756 -0.012 -1.374 H18 A1LZ2 61  
A1LZ2 H19 H19 H 0 1 N N N N N N 142.605 171.868 144.819 -3.897 1.630  -2.975 H19 A1LZ2 62  
A1LZ2 H20 H20 H 0 1 N N N N N N 143.306 170.431 144.001 -4.962 2.888  -2.301 H20 A1LZ2 63  
A1LZ2 H21 H21 H 0 1 N N N N N N 140.407 170.243 141.827 -6.706 1.819  -5.411 H21 A1LZ2 64  
A1LZ2 H22 H22 H 0 1 N N N N N N 141.979 169.446 142.174 -6.005 3.209  -4.548 H22 A1LZ2 65  
A1LZ2 H23 H23 H 0 1 N N N N N N 140.799 169.721 143.500 -4.941 1.952  -5.222 H23 A1LZ2 66  
A1LZ2 H24 H24 H 0 1 N N N N N N 143.475 175.105 144.834 -2.565 2.100  -1.747 H24 A1LZ2 67  
A1LZ2 H25 H25 H 0 1 N N N N N N 142.538 173.710 144.198 -2.409 0.431  -1.149 H25 A1LZ2 68  
A1LZ2 H26 H26 H 0 1 N N N N N N 141.976 174.699 147.961 0.014  0.718  -0.728 H26 A1LZ2 69  
A1LZ2 H27 H27 H 0 1 N N N N N N 141.892 175.553 146.383 -0.085 2.372  -1.378 H27 A1LZ2 70  
A1LZ2 H28 H28 H 0 1 N N N N N N 141.032 171.985 146.584 2.464  1.018  -0.341 H28 A1LZ2 71  
A1LZ2 H29 H29 H 0 1 N N N N N N 140.521 172.668 145.004 2.365  2.672  -0.991 H29 A1LZ2 72  
A1LZ2 H30 H30 H 0 1 N N N N N N 140.008 171.627 148.046 2.165  4.159  1.476  H30 A1LZ2 73  
A1LZ2 H31 H31 H 0 1 N N N N N N 138.408 172.441 148.110 3.414  4.509  0.257  H31 A1LZ2 74  
A1LZ2 H32 H32 H 0 1 N N N N N N 137.305 170.416 147.297 3.924  3.775  3.175  H32 A1LZ2 75  
A1LZ2 H33 H33 H 0 1 N N N N N N 138.296 170.035 148.746 4.076  5.401  2.468  H33 A1LZ2 76  
A1LZ2 H34 H34 H 0 1 N N N N N N 136.459 172.556 141.367 5.984  -0.140 -3.983 H34 A1LZ2 77  
A1LZ2 H35 H35 H 0 1 N N N N N N 136.993 170.843 141.302 4.393  -0.900 -4.233 H35 A1LZ2 78  
A1LZ2 H36 H36 H 0 1 N N N N N N 135.721 171.430 140.178 4.583  0.389  -3.020 H36 A1LZ2 79  
A1LZ2 H37 H37 H 0 1 N N N N N N 131.696 171.207 142.610 5.753  -4.833 -2.087 H37 A1LZ2 80  
A1LZ2 H38 H38 H 0 1 N N N N N N 132.330 170.206 144.777 6.250  -4.139 0.221  H38 A1LZ2 81  
A1LZ2 H39 H39 H 0 1 N N N N N N 135.021 170.425 146.413 5.359  -1.561 1.795  H39 A1LZ2 82  
A1LZ2 H40 H40 H 0 1 N N N N N N 134.056 168.960 146.030 6.940  -2.373 1.698  H40 A1LZ2 83  
A1LZ2 H41 H41 H 0 1 N N N N N N 135.779 169.056 145.531 6.785  -0.665 1.220  H41 A1LZ2 84  
A1LZ2 H42 H42 H 0 1 N N N N N N 144.842 172.421 146.160 -4.151 3.560  -0.851 H42 A1LZ2 85  
A1LZ2 H43 H43 H 0 1 N N N N N N 146.163 172.199 144.964 -3.512 3.333  0.794  H43 A1LZ2 86  
A1LZ2 H44 H44 H 0 1 N N N N N N 145.755 174.265 147.047 -5.860 4.127  0.854  H44 A1LZ2 87  
A1LZ2 H45 H45 H 0 1 N N N N N N 147.260 173.520 146.409 -6.362 2.717  -0.110 H45 A1LZ2 88  
A1LZ2 H46 H46 H 0 1 N N N N N N 147.589 175.127 144.896 -5.069 2.646  2.656  H46 A1LZ2 89  
A1LZ2 H47 H47 H 0 1 N N N N N N 146.727 176.063 146.163 -6.771 2.283  2.280  H47 A1LZ2 90  
A1LZ2 H48 H48 H 0 1 N N N N N N 146.010 176.487 143.815 -6.080 0.383  0.872  H48 A1LZ2 91  
A1LZ2 H49 H49 H 0 1 N N N N N N 144.709 176.003 144.955 -5.386 0.208  2.502  H49 A1LZ2 92  
A1LZ2 H50 H50 H 0 1 N N N N N N 148.785 170.358 142.528 -5.298 -2.669 -0.594 H50 A1LZ2 93  
A1LZ2 H51 H51 H 0 1 N N N N N N 147.416 171.305 141.853 -6.087 -3.885 0.439  H51 A1LZ2 94  
A1LZ2 H52 H52 H 0 1 N N N N N N 148.590 170.510 140.749 -5.604 -2.314 1.123  H52 A1LZ2 95  
A1LZ2 H53 H53 H 0 1 N N N N N N 150.765 171.387 140.413 -4.441 -5.608 0.006  H53 A1LZ2 96  
A1LZ2 H54 H54 H 0 1 N N N N N N 152.224 173.380 140.375 -2.241 -6.542 0.591  H54 A1LZ2 97  
A1LZ2 H55 H55 H 0 1 N N N N N N 151.597 175.380 141.680 -0.546 -5.124 1.676  H55 A1LZ2 98  
A1LZ2 H56 H56 H 0 1 N N N N N N 147.672 172.927 144.126 -3.344 -1.220 2.593  H56 A1LZ2 99  
A1LZ2 H58 H58 H 0 1 N N N N N N 137.310 169.545 143.445 6.281  0.867  -1.202 H58 A1LZ2 100 
# 
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 
A1LZ2 C42 C41 DOUB Y N 1   
A1LZ2 C42 C43 SING Y N 2   
A1LZ2 C41 C39 SING Y N 3   
A1LZ2 C27 C26 SING N N 4   
A1LZ2 C43 C02 DOUB Y N 5   
A1LZ2 C40 C39 SING N N 6   
A1LZ2 C39 C03 DOUB Y N 7   
A1LZ2 O38 C05 DOUB N N 8   
A1LZ2 C28 C26 DOUB Y N 9   
A1LZ2 C28 C29 SING Y N 10  
A1LZ2 C26 C25 SING Y N 11  
A1LZ2 C02 C03 SING Y N 12  
A1LZ2 C02 C01 SING N N 13  
A1LZ2 C03 N04 SING N N 14  
A1LZ2 C11 C10 SING N N 15  
A1LZ2 C05 N04 SING N N 16  
A1LZ2 C05 C06 SING N N 17  
A1LZ2 C29 C30 DOUB Y N 18  
A1LZ2 C10 C09 SING N N 19  
A1LZ2 C25 N24 SING N N 20  
A1LZ2 C25 C31 DOUB Y N 21  
A1LZ2 C08 C09 SING N N 22  
A1LZ2 C08 N07 SING N N 23  
A1LZ2 C06 N07 SING N N 24  
A1LZ2 C06 C37 SING N N 25  
A1LZ2 N24 C23 SING N N 26  
A1LZ2 C30 C31 SING Y N 27  
A1LZ2 N07 C12 SING N N 28  
A1LZ2 N07 C34 SING N N 29  
A1LZ2 C31 C32 SING N N 30  
A1LZ2 C37 C36 SING N N 31  
A1LZ2 C23 O33 DOUB N N 32  
A1LZ2 C23 C22 SING N N 33  
A1LZ2 C12 C13 SING N N 34  
A1LZ2 C22 C21 SING N N 35  
A1LZ2 C22 N17 SING N N 36  
A1LZ2 C34 C35 SING N N 37  
A1LZ2 C36 C35 SING N N 38  
A1LZ2 C21 C20 SING N N 39  
A1LZ2 C16 N17 SING N N 40  
A1LZ2 C16 C15 SING N N 41  
A1LZ2 N17 C18 SING N N 42  
A1LZ2 C13 C14 SING N N 43  
A1LZ2 C15 C14 SING N N 44  
A1LZ2 C20 C19 SING N N 45  
A1LZ2 C18 C19 SING N N 46  
A1LZ2 C10 H1  SING N N 47  
A1LZ2 C10 H2  SING N N 48  
A1LZ2 C13 H3  SING N N 49  
A1LZ2 C13 H4  SING N N 50  
A1LZ2 C15 H5  SING N N 51  
A1LZ2 C15 H6  SING N N 52  
A1LZ2 C20 H7  SING N N 53  
A1LZ2 C20 H8  SING N N 54  
A1LZ2 C21 H9  SING N N 55  
A1LZ2 C21 H10 SING N N 56  
A1LZ2 C22 H11 SING N N 57  
A1LZ2 C28 H12 SING N N 58  
A1LZ2 C01 H13 SING N N 59  
A1LZ2 C01 H14 SING N N 60  
A1LZ2 C01 H15 SING N N 61  
A1LZ2 C06 H16 SING N N 62  
A1LZ2 C08 H17 SING N N 63  
A1LZ2 C08 H18 SING N N 64  
A1LZ2 C09 H19 SING N N 65  
A1LZ2 C09 H20 SING N N 66  
A1LZ2 C11 H21 SING N N 67  
A1LZ2 C11 H22 SING N N 68  
A1LZ2 C11 H23 SING N N 69  
A1LZ2 C12 H24 SING N N 70  
A1LZ2 C12 H25 SING N N 71  
A1LZ2 C14 H26 SING N N 72  
A1LZ2 C14 H27 SING N N 73  
A1LZ2 C16 H28 SING N N 74  
A1LZ2 C16 H29 SING N N 75  
A1LZ2 C18 H30 SING N N 76  
A1LZ2 C18 H31 SING N N 77  
A1LZ2 C19 H32 SING N N 78  
A1LZ2 C19 H33 SING N N 79  
A1LZ2 C27 H34 SING N N 80  
A1LZ2 C27 H35 SING N N 81  
A1LZ2 C27 H36 SING N N 82  
A1LZ2 C29 H37 SING N N 83  
A1LZ2 C30 H38 SING N N 84  
A1LZ2 C32 H39 SING N N 85  
A1LZ2 C32 H40 SING N N 86  
A1LZ2 C32 H41 SING N N 87  
A1LZ2 C34 H42 SING N N 88  
A1LZ2 C34 H43 SING N N 89  
A1LZ2 C35 H44 SING N N 90  
A1LZ2 C35 H45 SING N N 91  
A1LZ2 C36 H46 SING N N 92  
A1LZ2 C36 H47 SING N N 93  
A1LZ2 C37 H48 SING N N 94  
A1LZ2 C37 H49 SING N N 95  
A1LZ2 C40 H50 SING N N 96  
A1LZ2 C40 H51 SING N N 97  
A1LZ2 C40 H52 SING N N 98  
A1LZ2 C41 H53 SING N N 99  
A1LZ2 C42 H54 SING N N 100 
A1LZ2 C43 H55 SING N N 101 
A1LZ2 N04 H56 SING N N 102 
A1LZ2 N24 H58 SING N N 103 
# 
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 
A1LZ2 InChI            InChI                1.06  "InChI=1S/C37H56N4O2/c1-6-7-25-41(27-14-10-22-33(41)37(43)39-35-30(4)19-16-20-31(35)5)26-13-8-11-23-40-24-12-9-21-32(40)36(42)38-34-28(2)17-15-18-29(34)3/h15-20,32-33H,6-14,21-27H2,1-5H3,(H-,38,39,42,43)/p+1/t32-,33-,41+/m0/s1" 
A1LZ2 InChIKey         InChI                1.06  LDTYQAIXDFBLCF-JHWKUKDKSA-O                                                                                                                                                                                                         
A1LZ2 SMILES_CANONICAL CACTVS               3.385 "CCCC[N@@+]1(CCCCCN2CCCC[C@H]2C(=O)Nc3c(C)cccc3C)CCCC[C@H]1C(=O)Nc4c(C)cccc4C"                                                                                                                                                      
A1LZ2 SMILES           CACTVS               3.385 "CCCC[N+]1(CCCCCN2CCCC[CH]2C(=O)Nc3c(C)cccc3C)CCCC[CH]1C(=O)Nc4c(C)cccc4C"                                                                                                                                                          
A1LZ2 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCC[N@+]1(CCCC[C@H]1C(=O)Nc2c(cccc2C)C)CCCCCN3CCCC[C@H]3C(=O)Nc4c(cccc4C)C"                                                                                                                                                       
A1LZ2 SMILES           "OpenEye OEToolkits" 2.0.7 "CCCC[N+]1(CCCCC1C(=O)Nc2c(cccc2C)C)CCCCCN3CCCCC3C(=O)Nc4c(cccc4C)C"                                                                                                                                                                
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_pdbx_chem_comp_identifier.comp_id           A1LZ2 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(1~{R},2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)-1-[5-[(2~{S})-2-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]pentyl]piperidin-1-ium-2-carboxamide" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1LZ2 "Create component" 2024-04-02 PDBJ 
A1LZ2 "Initial release"  2025-01-29 RCSB 
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