data_A1AAD
# 
_chem_comp.id                                    A1AAD 
_chem_comp.name                                  "(2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H34 Cl F7 N10 O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-12-12 
_chem_comp.pdbx_modified_date                    2024-03-01 
_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                        811.151 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AAD 
_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        8VB1 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
A1AAD C10  C1  C  0 1 Y N N N N N -14.156 16.574 -21.820 4.681  0.572  0.926  C10  A1AAD 1  
A1AAD C11  C2  C  0 1 Y N N N N N -13.932 15.251 -22.211 4.748  -0.407 -0.062 C11  A1AAD 2  
A1AAD C12  C3  C  0 1 Y N N N N N -14.499 14.174 -21.504 3.748  -1.352 -0.163 C12  A1AAD 3  
A1AAD C13  C4  C  0 1 N N N N N N -15.253 10.964 -18.344 1.076  -4.762 0.126  C13  A1AAD 4  
A1AAD C16  C5  C  0 1 N N S N N N -19.680 13.254 -20.370 -1.940 -1.389 -0.074 C16  A1AAD 5  
A1AAD C17  C6  C  0 1 N N N N N N -19.964 11.756 -20.536 -1.829 -1.056 -1.563 C17  A1AAD 6  
A1AAD C18  C7  C  0 1 Y N N N N N -19.885 14.202 -21.548 -2.393 -0.167 0.682  C18  A1AAD 7  
A1AAD C19  C8  C  0 1 Y N N N N N -21.120 14.154 -22.215 -1.501 0.859  0.933  C19  A1AAD 8  
A1AAD C01  C9  C  0 1 Y N N N N N -15.321 14.406 -20.393 2.679  -1.328 0.715  C01  A1AAD 9  
A1AAD C02  C10 C  0 1 N N R N N N -15.966 13.274 -19.629 1.590  -2.363 0.600  C02  A1AAD 10 
A1AAD C03  C11 C  0 1 N N N N N N -17.182 12.872 -20.502 0.488  -1.872 -0.315 C03  A1AAD 11 
A1AAD C05  C12 C  0 1 N N N N N N -15.020 12.099 -19.369 2.162  -3.686 0.085  C05  A1AAD 12 
A1AAD C06  C13 C  0 1 N N N N N N -17.976 13.910 -18.670 -0.391 -2.214 1.722  C06  A1AAD 13 
A1AAD C08  C14 C  0 1 Y N N N N N -15.556 15.734 -20.034 2.607  -0.358 1.698  C08  A1AAD 14 
A1AAD C09  C15 C  0 1 Y N N N N N -14.998 16.800 -20.733 3.605  0.588  1.811  C09  A1AAD 15 
A1AAD C20  C16 C  0 1 Y N N N N N -21.383 14.962 -23.314 -1.909 1.985  1.626  C20  A1AAD 16 
A1AAD C21  C17 C  0 1 Y N N N N N -20.404 15.860 -23.747 -3.212 2.090  2.071  C21  A1AAD 17 
A1AAD C22  C18 C  0 1 Y N N N N N -19.162 15.944 -23.108 -4.117 1.058  1.820  C22  A1AAD 18 
A1AAD C23  C19 C  0 1 Y N N N N N -18.908 15.118 -22.000 -3.700 -0.072 1.116  C23  A1AAD 19 
A1AAD C26  C20 C  0 1 N N N N N N -16.667 10.348 -18.495 0.636  -4.988 1.573  C26  A1AAD 20 
A1AAD C27  C21 C  0 1 N N N N N N -15.075 11.455 -16.902 -0.124 -4.307 -0.707 C27  A1AAD 21 
A1AAD C28  C22 C  0 1 Y N N N N N -13.584 17.711 -22.541 5.754  1.592  1.039  C28  A1AAD 22 
A1AAD C29  C23 C  0 1 Y N N N N N -18.122 16.877 -23.538 -5.515 1.163  2.294  C29  A1AAD 23 
A1AAD C31  C24 C  0 1 Y N N N N N -16.947 18.615 -23.790 -7.229 1.518  3.569  C31  A1AAD 24 
A1AAD C34  C25 C  0 1 N N N N N N -16.660 15.362 -25.013 -6.677 0.450  0.174  C34  A1AAD 25 
A1AAD C35  C26 C  0 1 N N N N N N -14.222 9.881  -18.568 1.630  -6.068 -0.449 C35  A1AAD 26 
A1AAD C36  C27 C  0 1 Y N N N N N -13.773 19.103 -22.313 6.850  1.772  0.176  C36  A1AAD 27 
A1AAD C40  C28 C  0 1 N N N N N N -11.640 19.166 -25.050 7.403  4.332  2.541  C40  A1AAD 28 
A1AAD C41  C29 C  0 1 N N N N N N -10.958 20.507 -25.157 8.793  4.217  3.171  C41  A1AAD 29 
A1AAD C42  C30 C  0 1 N N N N N N -10.140 19.272 -24.923 8.562  5.169  1.995  C42  A1AAD 30 
A1AAD C43  C31 C  0 1 N N N N N N -20.182 9.943  -19.055 -0.771 0.531  -2.998 C43  A1AAD 31 
A1AAD C46  C32 C  0 1 N N N N N N -20.305 8.269  -17.224 0.144  2.134  -4.588 C46  A1AAD 32 
A1AAD C47  C33 C  0 1 N N N N N N -21.709 7.860  -16.874 -1.131 2.724  -5.193 C47  A1AAD 33 
A1AAD C55  C34 C  0 1 N N N N N N -19.151 7.665  -16.440 1.110  1.419  -5.535 C55  A1AAD 34 
A1AAD C56  C35 C  0 1 N N N N N N -19.407 7.208  -17.847 1.474  2.791  -4.964 C56  A1AAD 35 
A1AAD F48  F1  F  0 1 N N N N N N -21.782 6.544  -16.562 -1.922 3.267  -4.174 F48  A1AAD 36 
A1AAD F49  F2  F  0 1 N N N N N N -22.410 8.002  -18.018 -0.793 3.729  -6.106 F49  A1AAD 37 
A1AAD F50  F3  F  0 1 N N N N N N -14.252 9.393  -19.820 0.636  -7.052 -0.412 F50  A1AAD 38 
A1AAD F51  F4  F  0 1 N N N N N N -12.978 10.365 -18.361 2.032  -5.861 -1.773 F51  A1AAD 39 
A1AAD F52  F5  F  0 1 N N N N N N -14.473 8.833  -17.755 2.727  -6.484 0.313  F52  A1AAD 40 
A1AAD F53  F6  F  0 1 N N N N N N -16.564 14.366 -24.093 -7.843 0.937  -0.428 F53  A1AAD 41 
A1AAD F54  F7  F  0 1 N N N N N N -17.679 14.977 -25.822 -5.560 0.936  -0.514 F54  A1AAD 42 
A1AAD N04  N1  N  0 1 N N N N N N -16.636 13.832 -18.489 0.927  -2.558 1.899  N04  A1AAD 43 
A1AAD N07  N2  N  0 1 N N N N N N -18.784 14.440 -17.827 -1.294 -2.259 2.658  N07  A1AAD 44 
A1AAD N15  N3  N  0 1 N N N N N N -18.312 13.364 -19.869 -0.632 -1.817 0.430  N15  A1AAD 45 
A1AAD N30  N4  N  0 1 Y N N N N N -18.073 18.155 -23.192 -5.901 1.539  3.496  N30  A1AAD 46 
A1AAD N32  N5  N  0 1 Y N N N N N -16.285 17.715 -24.520 -7.717 1.132  2.419  N32  A1AAD 47 
A1AAD N33  N6  N  0 1 Y N N N N N -17.039 16.603 -24.352 -6.625 0.896  1.568  N33  A1AAD 48 
A1AAD N37  N7  N  0 1 Y N N N N N -13.083 19.819 -23.209 7.527  2.785  0.665  N37  A1AAD 49 
A1AAD N38  N8  N  0 1 Y N N N N N -12.502 18.845 -23.942 6.935  3.210  1.724  N38  A1AAD 50 
A1AAD N39  N9  N  0 1 Y N N N N N -12.761 17.568 -23.593 5.876  2.524  1.968  N39  A1AAD 51 
A1AAD N45  N10 N  0 1 N N N N N N -20.241 9.628  -17.728 0.012  1.603  -3.229 N45  A1AAD 52 
A1AAD O14  O1  O  0 1 N N N N N N -17.123 12.318 -21.591 0.594  -1.585 -1.488 O14  A1AAD 53 
A1AAD O25  O2  O  0 1 N N N N N N -19.920 11.258 -19.190 -0.974 0.104  -1.737 O25  A1AAD 54 
A1AAD O44  O3  O  0 1 N N N N N N -20.338 9.165  -19.987 -1.295 -0.051 -3.927 O44  A1AAD 55 
A1AAD CL24 CL1 CL 0 0 N N N N N N -20.747 16.863 -25.106 -3.723 3.503  2.941  CL24 A1AAD 56 
A1AAD H1   H1  H  0 1 N N N N N N -13.312 15.051 -23.072 5.582  -0.426 -0.749 H1   A1AAD 57 
A1AAD H2   H2  H  0 1 N N N N N N -14.299 13.161 -21.820 3.799  -2.112 -0.929 H2   A1AAD 58 
A1AAD H3   H3  H  0 1 N N N N N N -20.347 13.607 -19.569 -2.663 -2.192 0.066  H3   A1AAD 59 
A1AAD H4   H4  H  0 1 N N N N N N -20.955 11.591 -20.985 -1.400 -1.906 -2.094 H4   A1AAD 60 
A1AAD H5   H5  H  0 1 N N N N N N -19.195 11.276 -21.159 -2.820 -0.840 -1.962 H5   A1AAD 61 
A1AAD H6   H6  H  0 1 N N N N N N -21.882 13.474 -21.866 -0.481 0.782  0.587  H6   A1AAD 62 
A1AAD H7   H7  H  0 1 N N N N N N -14.910 11.595 -20.340 2.998  -3.989 0.715  H7   A1AAD 63 
A1AAD H8   H8  H  0 1 N N N N N N -14.061 12.556 -19.083 2.508  -3.557 -0.941 H8   A1AAD 64 
A1AAD H9   H9  H  0 1 N N N N N N -16.192 15.941 -19.186 1.770  -0.344 2.380  H9   A1AAD 65 
A1AAD H10  H10 H  0 1 N N N N N N -15.220 17.813 -20.430 3.548  1.345  2.579  H10  A1AAD 66 
A1AAD H11  H11 H  0 1 N N N N N N -22.331 14.897 -23.827 -1.207 2.783  1.820  H11  A1AAD 67 
A1AAD H12  H12 H  0 1 N N N N N N -17.958 15.184 -21.490 -4.396 -0.873 0.915  H12  A1AAD 68 
A1AAD H13  H13 H  0 1 N N N N N N -16.799 9.546  -17.753 0.054  -5.908 1.637  H13  A1AAD 69 
A1AAD H14  H14 H  0 1 N N N N N N -17.426 11.127 -18.332 1.515  -5.070 2.212  H14  A1AAD 70 
A1AAD H15  H15 H  0 1 N N N N N N -16.780 9.933  -19.507 0.024  -4.148 1.903  H15  A1AAD 71 
A1AAD H16  H16 H  0 1 N N N N N N -15.249 10.621 -16.206 -0.743 -3.632 -0.115 H16  A1AAD 72 
A1AAD H17  H17 H  0 1 N N N N N N -14.052 11.837 -16.768 0.228  -3.788 -1.599 H17  A1AAD 73 
A1AAD H18  H18 H  0 1 N N N N N N -15.797 12.260 -16.697 -0.713 -5.176 -1.001 H18  A1AAD 74 
A1AAD H19  H19 H  0 1 N N N N N N -16.610 19.636 -23.684 -7.812 1.777  4.441  H19  A1AAD 75 
A1AAD H20  H20 H  0 1 N N N N N N -15.721 15.497 -25.571 -6.679 -0.639 0.140  H20  A1AAD 76 
A1AAD H21  H21 H  0 1 N N N N N N -14.386 19.522 -21.529 7.086  1.196  -0.707 H21  A1AAD 77 
A1AAD H22  H22 H  0 1 N N N N N N -11.970 18.764 -26.019 6.634  4.851  3.113  H22  A1AAD 78 
A1AAD H23  H23 H  0 1 N N N N N N -10.909 21.023 -26.127 8.938  4.660  4.156  H23  A1AAD 79 
A1AAD H24  H24 H  0 1 N N N N N N -11.075 21.249 -24.353 9.359  3.306  2.976  H24  A1AAD 80 
A1AAD H25  H25 H  0 1 N N N N N N -9.658  19.109 -23.948 8.976  4.885  1.028  H25  A1AAD 81 
A1AAD H26  H26 H  0 1 N N N N N N -9.492  18.883 -25.722 8.555  6.238  2.208  H26  A1AAD 82 
A1AAD H27  H27 H  0 1 N N N N N N -22.095 8.500  -16.067 -1.687 1.939  -5.705 H27  A1AAD 83 
A1AAD H28  H28 H  0 1 N N N N N N -18.263 8.274  -16.214 1.647  0.554  -5.147 H28  A1AAD 84 
A1AAD H29  H29 H  0 1 N N N N N N -19.355 6.988  -15.598 0.836  1.369  -6.589 H29  A1AAD 85 
A1AAD H30  H30 H  0 1 N N N N N N -19.799 6.197  -18.033 1.440  3.644  -5.642 H30  A1AAD 86 
A1AAD H31  H31 H  0 1 N N N N N N -18.707 7.483  -18.650 2.251  2.828  -4.200 H31  A1AAD 87 
A1AAD H32  H32 H  0 1 N N N N N N -16.167 14.129 -17.657 1.339  -2.869 2.720  H32  A1AAD 88 
A1AAD H33  H33 H  0 1 N N N N N N -19.731 14.414 -18.148 -2.222 -2.073 2.446  H33  A1AAD 89 
A1AAD H34  H34 H  0 1 N N N N N N -20.240 10.377 -17.065 0.488  2.023  -2.496 H34  A1AAD 90 
# 
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 
A1AAD C01 C02  SING N N 1  
A1AAD C01 C08  DOUB Y N 2  
A1AAD C01 C12  SING Y N 3  
A1AAD C02 C03  SING N N 4  
A1AAD C02 N04  SING N N 5  
A1AAD C02 C05  SING N N 6  
A1AAD C03 O14  DOUB N N 7  
A1AAD C03 N15  SING N N 8  
A1AAD N04 C06  SING N N 9  
A1AAD C05 C13  SING N N 10 
A1AAD C06 N07  DOUB N N 11 
A1AAD C06 N15  SING N N 12 
A1AAD C08 C09  SING Y N 13 
A1AAD C09 C10  DOUB Y N 14 
A1AAD C10 C11  SING Y N 15 
A1AAD C10 C28  SING N N 16 
A1AAD C11 C12  DOUB Y N 17 
A1AAD C13 C26  SING N N 18 
A1AAD C13 C27  SING N N 19 
A1AAD C13 C35  SING N N 20 
A1AAD N15 C16  SING N N 21 
A1AAD C16 C17  SING N N 22 
A1AAD C16 C18  SING N N 23 
A1AAD C17 O25  SING N N 24 
A1AAD C18 C19  DOUB Y N 25 
A1AAD C18 C23  SING Y N 26 
A1AAD C19 C20  SING Y N 27 
A1AAD C20 C21  DOUB Y N 28 
A1AAD C21 C22  SING Y N 29 
A1AAD C21 CL24 SING N N 30 
A1AAD C22 C23  DOUB Y N 31 
A1AAD C22 C29  SING N N 32 
A1AAD O25 C43  SING N N 33 
A1AAD C28 C36  SING Y N 34 
A1AAD C28 N39  DOUB Y N 35 
A1AAD C29 N30  DOUB Y N 36 
A1AAD C29 N33  SING Y N 37 
A1AAD N30 C31  SING Y N 38 
A1AAD C31 N32  DOUB Y N 39 
A1AAD N32 N33  SING Y N 40 
A1AAD N33 C34  SING N N 41 
A1AAD C34 F53  SING N N 42 
A1AAD C34 F54  SING N N 43 
A1AAD C35 F50  SING N N 44 
A1AAD C35 F51  SING N N 45 
A1AAD C35 F52  SING N N 46 
A1AAD C36 N37  DOUB Y N 47 
A1AAD N37 N38  SING Y N 48 
A1AAD N38 N39  SING Y N 49 
A1AAD N38 C40  SING N N 50 
A1AAD C40 C41  SING N N 51 
A1AAD C40 C42  SING N N 52 
A1AAD C41 C42  SING N N 53 
A1AAD C43 O44  DOUB N N 54 
A1AAD C43 N45  SING N N 55 
A1AAD N45 C46  SING N N 56 
A1AAD C46 C47  SING N N 57 
A1AAD C46 C55  SING N N 58 
A1AAD C46 C56  SING N N 59 
A1AAD C47 F48  SING N N 60 
A1AAD C47 F49  SING N N 61 
A1AAD C55 C56  SING N N 62 
A1AAD C11 H1   SING N N 63 
A1AAD C12 H2   SING N N 64 
A1AAD C16 H3   SING N N 65 
A1AAD C17 H4   SING N N 66 
A1AAD C17 H5   SING N N 67 
A1AAD C19 H6   SING N N 68 
A1AAD C05 H7   SING N N 69 
A1AAD C05 H8   SING N N 70 
A1AAD C08 H9   SING N N 71 
A1AAD C09 H10  SING N N 72 
A1AAD C20 H11  SING N N 73 
A1AAD C23 H12  SING N N 74 
A1AAD C26 H13  SING N N 75 
A1AAD C26 H14  SING N N 76 
A1AAD C26 H15  SING N N 77 
A1AAD C27 H16  SING N N 78 
A1AAD C27 H17  SING N N 79 
A1AAD C27 H18  SING N N 80 
A1AAD C31 H19  SING N N 81 
A1AAD C34 H20  SING N N 82 
A1AAD C36 H21  SING N N 83 
A1AAD C40 H22  SING N N 84 
A1AAD C41 H23  SING N N 85 
A1AAD C41 H24  SING N N 86 
A1AAD C42 H25  SING N N 87 
A1AAD C42 H26  SING N N 88 
A1AAD C47 H27  SING N N 89 
A1AAD C55 H28  SING N N 90 
A1AAD C55 H29  SING N N 91 
A1AAD C56 H30  SING N N 92 
A1AAD C56 H31  SING N N 93 
A1AAD N04 H32  SING N N 94 
A1AAD N07 H33  SING N N 95 
A1AAD N45 H34  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 
A1AAD SMILES           ACDLabs              12.01 "FC(F)n1ncnc1c1cc(ccc1Cl)C(COC(=O)NC1(CC1)C(F)F)N1C(=O)C(CC(C)(C)C(F)(F)F)(NC1=N)c1ccc(cc1)c1cnn(n1)C1CC1"                                                                                                                                                                                               
A1AAD InChI            InChI                1.06  "InChI=1S/C35H34ClF7N10O3/c1-32(2,35(41,42)43)16-34(20-6-3-18(4-7-20)24-14-46-53(50-24)21-8-9-21)28(54)51(30(44)48-34)25(15-56-31(55)49-33(11-12-33)27(37)38)19-5-10-23(36)22(13-19)26-45-17-47-52(26)29(39)40/h3-7,10,13-14,17,21,25,27,29H,8-9,11-12,15-16H2,1-2H3,(H2,44,48)(H,49,55)/t25-,34-/m1/s1" 
A1AAD InChIKey         InChI                1.06  PZNXPIKYOCIJGV-QCBOHVIISA-N                                                                                                                                                                                                                                                                              
A1AAD SMILES_CANONICAL CACTVS               3.385 "CC(C)(C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)F)c3ccc(Cl)c(c3)c4ncnn4C(F)F)C1=O)c5ccc(cc5)c6cnn(n6)C7CC7)C(F)(F)F"                                                                                                                                                                                     
A1AAD SMILES           CACTVS               3.385 "CC(C)(C[C]1(NC(=N)N([CH](COC(=O)NC2(CC2)C(F)F)c3ccc(Cl)c(c3)c4ncnn4C(F)F)C1=O)c5ccc(cc5)c6cnn(n6)C7CC7)C(F)(F)F"                                                                                                                                                                                        
A1AAD SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "[H]/N=C\1/N[C@](C(=O)N1[C@H](COC(=O)NC2(CC2)C(F)F)c3ccc(c(c3)c4ncnn4C(F)F)Cl)(CC(C)(C)C(F)(F)F)c5ccc(cc5)c6cnn(n6)C7CC7"                                                                                                                                                                                
A1AAD SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)(CC1(C(=O)N(C(=N)N1)C(COC(=O)NC2(CC2)C(F)F)c3ccc(c(c3)c4ncnn4C(F)F)Cl)c5ccc(cc5)c6cnn(n6)C7CC7)C(F)(F)F"                                                                                                                                                                                           
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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 
A1AAD "SYSTEMATIC NAME" ACDLabs              12.01 "(2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2Z,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate"                                       
A1AAD "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[(2~{S})-2-[(4~{R})-2-azanylidene-4-[4-(2-cyclopropyl-1,2,3-triazol-4-yl)phenyl]-5-oxidanylidene-4-[3,3,3-tris(fluoranyl)-2,2-dimethyl-propyl]imidazolidin-1-yl]-2-[3-[2-[bis(fluoranyl)methyl]-1,2,4-triazol-3-yl]-4-chloranyl-phenyl]ethyl] ~{N}-[1-[bis(fluoranyl)methyl]cyclopropyl]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 
A1AAD "Create component" 2023-12-12 RCSB 
A1AAD "Initial release"  2024-03-06 RCSB 
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