data_A1ARH
# 
_chem_comp.id                                    A1ARH 
_chem_comp.name                                  "N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-cyclohexyl-N-{(2R)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-L-alaninamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H50 N4 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-05-13 
_chem_comp.pdbx_modified_date                    2025-05-09 
_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                        614.773 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1ARH 
_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        9BQQ 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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 
A1ARH N    N1  N 0 1 N N N N N N -9.670  -15.484 -18.048 0.101   -0.149 -1.035 N    A1ARH 1  
A1ARH C    C1  C 0 1 N N S N N N -9.701  -17.892 -18.189 -2.273  0.546  -1.026 C    A1ARH 2  
A1ARH O    O1  O 0 1 N N N N N N -10.706 -16.661 -16.430 -1.156  -0.531 0.753  O    A1ARH 3  
A1ARH C1   C2  C 0 1 N N N N N N -10.072 -16.624 -17.481 -1.070  -0.083 -0.371 C1   A1ARH 4  
A1ARH C10  C3  C 0 1 N N N N N N -15.041 -16.017 -14.863 6.562   1.778  1.975  C10  A1ARH 5  
A1ARH C11  C4  C 0 1 N N N N N N -9.239  -13.113 -18.220 1.111   -2.356 -0.732 C11  A1ARH 6  
A1ARH C12  C5  C 0 1 N N N N N N -7.924  -12.639 -17.579 2.208   -3.114 0.019  C12  A1ARH 7  
A1ARH C13  C6  C 0 1 N N R N N N -10.972 -18.659 -18.548 -2.089  2.064  -1.079 C13  A1ARH 8  
A1ARH C14  C7  C 0 1 N N N N N N -11.908 -17.735 -19.325 -3.308  2.703  -1.746 C14  A1ARH 9  
A1ARH C15  C8  C 0 1 N N N N N N -7.619  -19.014 -17.625 -4.647  0.016  -0.881 C15  A1ARH 10 
A1ARH C16  C9  C 0 1 N N N N N N -5.564  -20.216 -16.949 -6.995  -0.408 -0.910 C16  A1ARH 11 
A1ARH C17  C10 C 0 1 N N N N N N -11.130 -21.101 -18.852 -1.044  3.673  0.359  C17  A1ARH 12 
A1ARH C18  C11 C 0 1 N N N N N N -12.560 -20.979 -18.333 -1.480  4.790  -0.591 C18  A1ARH 13 
A1ARH C19  C12 C 0 1 N N N N N N -10.232 -21.665 -17.751 0.366   3.209  -0.010 C19  A1ARH 14 
A1ARH C2   C13 C 0 1 N N S N N N -9.994  -14.199 -17.451 1.239   -0.858 -0.444 C2   A1ARH 15 
A1ARH C20  C14 C 0 1 N N N N N N -11.123 -22.062 -20.033 -1.049  4.196  1.797  C20  A1ARH 16 
A1ARH C21  C15 C 0 1 N N N N N N -7.040  -11.996 -18.656 2.173   -4.590 -0.383 C21  A1ARH 17 
A1ARH C22  C16 C 0 1 N N N N N N -5.561  -12.398 -18.576 3.269   -5.349 0.367  C22  A1ARH 18 
A1ARH C23  C17 C 0 1 N N N N N N -5.047  -12.362 -17.147 3.035   -5.225 1.874  C23  A1ARH 19 
A1ARH C24  C18 C 0 1 N N N N N N -5.869  -13.270 -16.227 3.070   -3.749 2.276  C24  A1ARH 20 
A1ARH C25  C19 C 0 1 N N N N N N -7.163  -13.765 -16.881 1.974   -2.990 1.526  C25  A1ARH 21 
A1ARH C26  C20 C 0 1 N N N N N N -12.293 -10.817 -15.627 6.530   -0.843 -2.904 C26  A1ARH 22 
A1ARH C27  C21 C 0 1 Y N N N N N -5.584  -21.429 -17.859 -8.137  -0.617 0.052  C27  A1ARH 23 
A1ARH C28  C22 C 0 1 Y N N N N N -5.364  -21.282 -19.233 -8.873  0.466  0.496  C28  A1ARH 24 
A1ARH C29  C23 C 0 1 Y N N N N N -5.384  -22.406 -20.059 -9.920  0.274  1.378  C29  A1ARH 25 
A1ARH C3   C24 C 0 1 N N N N N N -11.489 -13.974 -17.486 2.520   -0.339 -1.043 C3   A1ARH 26 
A1ARH C30  C25 C 0 1 Y N N N N N -5.624  -23.671 -19.525 -10.231 -1.000 1.816  C30  A1ARH 27 
A1ARH C31  C26 C 0 1 Y N N N N N -5.836  -23.811 -18.157 -9.495  -2.082 1.371  C31  A1ARH 28 
A1ARH C32  C27 C 0 1 Y N N N N N -5.823  -22.692 -17.320 -8.451  -1.891 0.486  C32  A1ARH 29 
A1ARH C4   C28 C 0 1 N N S N N N -13.435 -12.940 -16.490 4.939   -0.051 -0.992 C4   A1ARH 30 
A1ARH C5   C29 C 0 1 N N N N N N -13.533 -11.498 -16.101 5.451   -1.143 -1.896 C5   A1ARH 31 
A1ARH C6   C30 C 0 1 N N N N N N -14.334 -13.736 -15.544 5.974   0.233  0.099  C6   A1ARH 32 
A1ARH C7   C31 C 0 1 N N S N N N -14.246 -15.222 -15.856 5.533   1.451  0.915  C7   A1ARH 33 
A1ARH C8   C32 C 0 1 N N N N N N -14.888 -15.555 -17.195 5.492   2.714  0.023  C8   A1ARH 34 
A1ARH C9   C33 C 0 1 N N N N N N -15.824 -16.734 -16.919 5.982   3.805  1.001  C9   A1ARH 35 
A1ARH N1   N2  N 0 1 N N N N N N -12.059 -13.397 -16.425 3.682   -0.478 -0.373 N1   A1ARH 36 
A1ARH N2   N3  N 0 1 N N N N N N -15.933 -16.794 -15.473 6.793   3.102  2.001  N2   A1ARH 37 
A1ARH N3   N4  N 0 1 N N N N N N -8.878  -18.709 -17.335 -3.474  0.227  -0.250 N3   A1ARH 38 
A1ARH O1   O2  O 0 1 N N N N N N -12.166 -14.335 -18.444 2.507   0.204  -2.127 O1   A1ARH 39 
A1ARH O2   O3  O 0 1 N N N N N N -14.611 -10.923 -16.173 4.995   -2.258 -1.814 O2   A1ARH 40 
A1ARH O3   O4  O 0 1 N N N N N N -14.846 -15.936 -13.656 7.095   0.965  2.700  O3   A1ARH 41 
A1ARH O4   O5  O 0 1 N N N N N N -10.640 -19.826 -19.324 -1.951  2.574  0.250  O4   A1ARH 42 
A1ARH O5   O6  O 0 1 N N N N N N -6.900  -19.811 -16.657 -5.768  -0.188 -0.164 O5   A1ARH 43 
A1ARH O6   O7  O 0 1 N N N N N N -7.034  -18.666 -18.642 -4.692  0.012  -2.095 O6   A1ARH 44 
A1ARH HN   H1  H 0 1 N N N N N N -9.139  -15.515 -18.895 0.190   0.270  -1.905 HN   A1ARH 45 
A1ARH H0   H2  H 0 1 N N N N N N -9.159  -17.646 -19.114 -2.380  0.158  -2.038 H0   A1ARH 46 
A1ARH H111 H3  H 0 0 N N N N N N -9.006  -13.506 -19.220 1.217   -2.530 -1.803 H111 A1ARH 47 
A1ARH H112 H4  H 0 0 N N N N N N -9.903  -12.241 -18.315 0.134   -2.707 -0.401 H112 A1ARH 48 
A1ARH H12  H5  H 0 1 N N N N N N -8.166  -11.871 -16.830 3.180   -2.692 -0.234 H12  A1ARH 49 
A1ARH H13  H6  H 0 1 N N N N N N -11.473 -18.962 -17.617 -1.193  2.302  -1.653 H13  A1ARH 50 
A1ARH H142 H7  H 0 0 N N N N N N -12.827 -18.280 -19.588 -4.185  2.557  -1.116 H142 A1ARH 51 
A1ARH H141 H8  H 0 0 N N N N N N -12.163 -16.864 -18.703 -3.131  3.770  -1.881 H141 A1ARH 52 
A1ARH H143 H9  H 0 0 N N N N N N -11.408 -17.395 -20.244 -3.477  2.237  -2.717 H143 A1ARH 53 
A1ARH H162 H10 H 0 0 N N N N N N -5.034  -19.392 -17.449 -6.885  -1.291 -1.539 H162 A1ARH 54 
A1ARH H16  H11 H 0 1 N N N N N N -5.046  -20.470 -16.012 -7.201  0.461  -1.535 H16  A1ARH 55 
A1ARH H181 H12 H 0 0 N N N N N N -12.908 -21.961 -17.981 -2.496  5.100  -0.347 H181 A1ARH 56 
A1ARH H183 H13 H 0 0 N N N N N N -12.588 -20.260 -17.501 -0.806  5.640  -0.486 H183 A1ARH 57 
A1ARH H182 H14 H 0 0 N N N N N N -13.215 -20.627 -19.143 -1.448  4.426  -1.618 H182 A1ARH 58 
A1ARH H191 H15 H 0 0 N N N N N N -10.630 -22.633 -17.413 0.399   2.957  -1.070 H191 A1ARH 59 
A1ARH H192 H16 H 0 0 N N N N N N -9.214  -21.804 -18.144 1.077   4.010  0.195  H192 A1ARH 60 
A1ARH H193 H17 H 0 0 N N N N N N -10.206 -20.964 -16.904 0.627   2.332  0.581  H193 A1ARH 61 
A1ARH H2   H18 H 0 1 N N N N N N -9.658  -14.184 -16.404 1.249   -0.695 0.634  H2   A1ARH 62 
A1ARH H202 H19 H 0 0 N N N N N N -11.492 -23.046 -19.708 -0.739  3.400  2.474  H202 A1ARH 63 
A1ARH H203 H20 H 0 0 N N N N N N -11.775 -21.671 -20.828 -0.358  5.035  1.881  H203 A1ARH 64 
A1ARH H201 H21 H 0 0 N N N N N N -10.097 -22.163 -20.417 -2.054  4.526  2.060  H201 A1ARH 65 
A1ARH H211 H22 H 0 0 N N N N N N -7.426  -12.293 -19.642 1.201   -5.013 -0.131 H211 A1ARH 66 
A1ARH H212 H23 H 0 0 N N N N N N -7.107  -10.903 -18.550 2.340   -4.679 -1.457 H212 A1ARH 67 
A1ARH H221 H24 H 0 0 N N N N N N -5.447  -13.418 -18.971 3.244   -6.400 0.081  H221 A1ARH 68 
A1ARH H222 H25 H 0 0 N N N N N N -4.968  -11.701 -19.186 4.242   -4.926 0.115  H222 A1ARH 69 
A1ARH H231 H26 H 0 0 N N N N N N -4.000  -12.698 -17.136 2.063   -5.648 2.127  H231 A1ARH 70 
A1ARH H232 H27 H 0 0 N N N N N N -5.105  -11.329 -16.773 3.816   -5.766 2.409  H232 A1ARH 71 
A1ARH H241 H28 H 0 0 N N N N N N -5.256  -14.143 -15.956 2.903   -3.661 3.350  H241 A1ARH 72 
A1ARH H242 H29 H 0 0 N N N N N N -6.128  -12.707 -15.318 4.042   -3.327 2.023  H242 A1ARH 73 
A1ARH H252 H30 H 0 0 N N N N N N -7.809  -14.200 -16.104 1.998   -1.939 1.812  H252 A1ARH 74 
A1ARH H251 H31 H 0 0 N N N N N N -6.912  -14.536 -17.624 1.001   -3.413 1.778  H251 A1ARH 75 
A1ARH H261 H32 H 0 0 N N N N N N -12.522 -9.772  -15.373 6.814   0.207  -2.831 H261 A1ARH 76 
A1ARH H26  H33 H 0 1 N N N N N N -11.908 -11.335 -14.736 7.400   -1.468 -2.701 H26  A1ARH 77 
A1ARH H262 H34 H 0 0 N N N N N N -11.534 -10.843 -16.422 6.159   -1.050 -3.907 H262 A1ARH 78 
A1ARH H28  H35 H 0 1 N N N N N N -5.180  -20.304 -19.652 -8.630  1.461  0.154  H28  A1ARH 79 
A1ARH H29  H36 H 0 1 N N N N N N -5.212  -22.295 -21.120 -10.495 1.120  1.726  H29  A1ARH 80 
A1ARH H30  H37 H 0 1 N N N N N N -5.645  -24.537 -20.169 -11.048 -1.149 2.506  H30  A1ARH 81 
A1ARH H31  H38 H 0 1 N N N N N N -6.012  -24.791 -17.739 -9.738  -3.077 1.713  H31  A1ARH 82 
A1ARH H32  H39 H 0 1 N N N N N N -5.997  -22.805 -16.260 -7.876  -2.737 0.138  H32  A1ARH 83 
A1ARH H4   H40 H 0 1 N N N N N N -13.814 -13.059 -17.516 4.769   0.854  -1.575 H4   A1ARH 84 
A1ARH H62  H41 H 0 1 N N N N N N -14.012 -13.564 -14.507 6.057   -0.633 0.756  H62  A1ARH 85 
A1ARH H61  H42 H 0 1 N N N N N N -15.375 -13.401 -15.665 6.941   0.435  -0.361 H61  A1ARH 86 
A1ARH H7   H43 H 0 1 N N N N N N -13.195 -15.546 -15.851 4.559   1.271  1.370  H7   A1ARH 87 
A1ARH H81  H44 H 0 1 N N N N N N -15.457 -14.693 -17.573 6.172   2.615  -0.823 H81  A1ARH 88 
A1ARH H82  H45 H 0 1 N N N N N N -14.120 -15.838 -17.930 4.477   2.920  -0.315 H82  A1ARH 89 
A1ARH H91  H46 H 0 1 N N N N N N -16.810 -16.560 -17.375 6.586   4.542  0.471  H91  A1ARH 90 
A1ARH H92  H47 H 0 1 N N N N N N -15.397 -17.668 -17.314 5.132   4.289  1.482  H92  A1ARH 91 
A1ARH HN1  H48 H 0 1 N N N N N N -11.535 -13.279 -15.581 3.685   -0.861 0.518  HN1  A1ARH 92 
A1ARH HN2  H49 H 0 1 N N N N N N -16.603 -17.356 -14.989 7.421   3.536  2.600  HN2  A1ARH 93 
A1ARH HN3  H50 H 0 1 N N N N N N -9.272  -19.062 -16.486 -3.425  0.166  0.717  HN3  A1ARH 94 
# 
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 
A1ARH C16 O5   SING N N 1  
A1ARH C27 C16  SING N N 2  
A1ARH O5  C15  SING N N 3  
A1ARH O6  C15  DOUB N N 4  
A1ARH C15 N3   SING N N 5  
A1ARH N3  C    SING N N 6  
A1ARH C13 C    SING N N 7  
A1ARH C   C1   SING N N 8  
A1ARH C14 C13  SING N N 9  
A1ARH O4  C13  SING N N 10 
A1ARH C17 O4   SING N N 11 
A1ARH C18 C17  SING N N 12 
A1ARH C19 C17  SING N N 13 
A1ARH C20 C17  SING N N 14 
A1ARH O   C1   DOUB N N 15 
A1ARH C1  N    SING N N 16 
A1ARH N   C2   SING N N 17 
A1ARH C11 C2   SING N N 18 
A1ARH C2  C3   SING N N 19 
A1ARH C12 C11  SING N N 20 
A1ARH C12 C21  SING N N 21 
A1ARH C25 C12  SING N N 22 
A1ARH C21 C22  SING N N 23 
A1ARH C22 C23  SING N N 24 
A1ARH C23 C24  SING N N 25 
A1ARH C24 C25  SING N N 26 
A1ARH O1  C3   DOUB N N 27 
A1ARH C3  N1   SING N N 28 
A1ARH N1  C4   SING N N 29 
A1ARH C5  C4   SING N N 30 
A1ARH C4  C6   SING N N 31 
A1ARH O2  C5   DOUB N N 32 
A1ARH C26 C5   SING N N 33 
A1ARH C6  C7   SING N N 34 
A1ARH C7  C8   SING N N 35 
A1ARH C7  C10  SING N N 36 
A1ARH C8  C9   SING N N 37 
A1ARH C9  N2   SING N N 38 
A1ARH N2  C10  SING N N 39 
A1ARH C10 O3   DOUB N N 40 
A1ARH C27 C28  DOUB Y N 41 
A1ARH C32 C27  SING Y N 42 
A1ARH C28 C29  SING Y N 43 
A1ARH C29 C30  DOUB Y N 44 
A1ARH C30 C31  SING Y N 45 
A1ARH C31 C32  DOUB Y N 46 
A1ARH N   HN   SING N N 47 
A1ARH C   H0   SING N N 48 
A1ARH C11 H111 SING N N 49 
A1ARH C11 H112 SING N N 50 
A1ARH C12 H12  SING N N 51 
A1ARH C13 H13  SING N N 52 
A1ARH C14 H142 SING N N 53 
A1ARH C14 H141 SING N N 54 
A1ARH C14 H143 SING N N 55 
A1ARH C16 H162 SING N N 56 
A1ARH C16 H16  SING N N 57 
A1ARH C18 H181 SING N N 58 
A1ARH C18 H183 SING N N 59 
A1ARH C18 H182 SING N N 60 
A1ARH C19 H191 SING N N 61 
A1ARH C19 H192 SING N N 62 
A1ARH C19 H193 SING N N 63 
A1ARH C2  H2   SING N N 64 
A1ARH C20 H202 SING N N 65 
A1ARH C20 H203 SING N N 66 
A1ARH C20 H201 SING N N 67 
A1ARH C21 H211 SING N N 68 
A1ARH C21 H212 SING N N 69 
A1ARH C22 H221 SING N N 70 
A1ARH C22 H222 SING N N 71 
A1ARH C23 H231 SING N N 72 
A1ARH C23 H232 SING N N 73 
A1ARH C24 H241 SING N N 74 
A1ARH C24 H242 SING N N 75 
A1ARH C25 H252 SING N N 76 
A1ARH C25 H251 SING N N 77 
A1ARH C26 H261 SING N N 78 
A1ARH C26 H26  SING N N 79 
A1ARH C26 H262 SING N N 80 
A1ARH C28 H28  SING N N 81 
A1ARH C29 H29  SING N N 82 
A1ARH C30 H30  SING N N 83 
A1ARH C31 H31  SING N N 84 
A1ARH C32 H32  SING N N 85 
A1ARH C4  H4   SING N N 86 
A1ARH C6  H62  SING N N 87 
A1ARH C6  H61  SING N N 88 
A1ARH C7  H7   SING N N 89 
A1ARH C8  H81  SING N N 90 
A1ARH C8  H82  SING N N 91 
A1ARH C9  H91  SING N N 92 
A1ARH C9  H92  SING N N 93 
A1ARH N1  HN1  SING N N 94 
A1ARH N2  HN2  SING N N 95 
A1ARH N3  HN3  SING N N 96 
# 
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 
A1ARH SMILES           ACDLabs              12.01 "CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(C)=O"                                                                                                                                                                                                    
A1ARH InChI            InChI                1.06  "InChI=1S/C33H50N4O7/c1-21(38)26(19-25-16-17-34-29(25)39)35-30(40)27(18-23-12-8-6-9-13-23)36-31(41)28(22(2)44-33(3,4)5)37-32(42)43-20-24-14-10-7-11-15-24/h7,10-11,14-15,22-23,25-28H,6,8-9,12-13,16-20H2,1-5H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,25+,26-,27+,28+/m1/s1" 
A1ARH InChIKey         InChI                1.06  MGGAQIKDKGRMAE-LSNQXMIESA-N                                                                                                                                                                                                                                                      
A1ARH SMILES_CANONICAL CACTVS               3.385 "C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C)=O"                                                                                                                                                                            
A1ARH SMILES           CACTVS               3.385 "C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)C(C)=O"                                                                                                                                                                                     
A1ARH SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C)NC(=O)OCc3ccccc3)OC(C)(C)C"                                                                                                                                                                            
A1ARH SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)C(=O)C)NC(=O)OCc3ccccc3)OC(C)(C)C"                                                                                                                                                                                                    
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
A1ARH "SYSTEMATIC NAME" ACDLabs              12.01 "N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-3-cyclohexyl-N-{(2R)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-L-alaninamide"                                                                                                                       
A1ARH "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(phenylmethyl) ~{N}-[(2~{S},3~{R})-1-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-3-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-butan-2-yl]carbamate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1ARH "Create component" 2024-05-13 RCSB 
A1ARH "Modify PCM"       2024-09-27 PDBE 
A1ARH "Initial release"  2025-05-14 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1ARH 
_pdbx_chem_comp_pcm.modified_residue_id                CYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C26 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   SG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
