data_L9P
#

_chem_comp.id                                   L9P
_chem_comp.name                                 Voxilaprevir
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C40 H52 F4 N6 O9 S"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2019-02-15
_chem_comp.pdbx_modified_date                   2021-03-13
_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                       868.934
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    L9P
_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       6NZT
_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.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
L9P  C01  C1   C  0  1  N  N  R  69.292  71.225  12.964   1.068  -0.742   1.391  C01  L9P    1  
L9P  C02  C2   C  0  1  N  N  N  70.555  70.359  12.794   0.619   0.279   2.463  C02  L9P    2  
L9P  C04  C3   C  0  1  N  N  S  68.950  69.282  14.274  -0.399   0.971   0.420  C04  L9P    3  
L9P  C05  C4   C  0  1  N  N  S  68.222  70.162  13.270   0.229  -0.404   0.142  C05  L9P    4  
L9P  C06  C5   C  0  1  N  N  N  68.532  67.793  14.281  -1.901   0.851   0.426  C06  L9P    5  
L9P  C09  C6   C  0  1  N  N  R  67.484  66.028  15.699  -4.036   0.721  -0.741  C09  L9P    6  
L9P  C10  C7   C  0  1  N  N  N  66.334  65.363  15.057  -4.694  -0.581  -0.364  C10  L9P    7  
L9P  C13  C8   C  0  1  N  N  N  63.594  66.466  12.308  -5.806  -3.408  -1.473  C13  L9P    8  
L9P  C17  C9   C  0  1  N  N  R  68.700  65.135  15.953  -4.738   2.015  -0.321  C17  L9P    9  
L9P  C18  C10  C  0  1  N  N  N  67.845  65.559  17.102  -4.734   1.588  -1.791  C18  L9P   10  
L9P  C19  C11  C  0  1  N  N  N  62.195  66.090  12.000  -5.453  -4.533  -2.448  C19  L9P   11  
L9P  C20  C12  C  0  1  N  N  N  62.463  67.258  12.900  -6.652  -4.682  -1.510  C20  L9P   12  
L9P  C22  C13  C  0  1  Y  N  N  68.667  73.193  14.253   3.182  -1.553   0.606  C22  L9P   13  
L9P  C23  C14  C  0  1  N  N  N  71.327  68.494  14.337   0.011   2.697   2.191  C23  L9P   14  
L9P  C25  C15  C  0  1  N  N  S  72.772  68.603  13.789  -0.509   3.803   1.310  C25  L9P   15  
L9P  C27  C16  C  0  1  N  N  N  74.044  69.885  15.343   1.546   4.912   0.694  C27  L9P   16  
L9P  C30  C17  C  0  1  N  N  R  75.351  71.011  16.944   3.635   5.845  -0.001  C30  L9P   17  
L9P  C31  C18  C  0  1  N  N  R  74.528  71.605  18.065   3.572   5.382  -1.460  C31  L9P   18  
L9P  C32  C19  C  0  1  N  N  N  74.439  73.100  18.224   4.710   4.491  -1.964  C32  L9P   19  
L9P  C34  C20  C  0  1  Y  N  N  67.102  74.681  13.464   3.946  -3.715   0.713  C34  L9P   20  
L9P  C35  C21  C  0  1  Y  N  N  67.194  75.419  14.660   4.850  -3.441  -0.344  C35  L9P   21  
L9P  C37  C22  C  0  1  Y  N  N  68.765  73.917  15.420   4.011  -1.313  -0.502  C37  L9P   22  
L9P  C38  C23  C  0  1  Y  N  N  66.234  75.097  12.467   3.919  -4.999   1.280  C38  L9P   23  
L9P  C39  C24  C  0  1  Y  N  N  65.452  76.255  12.657   4.799  -5.949   0.845  C39  L9P   24  
L9P  C40  C25  C  0  1  Y  N  N  65.552  76.974  13.839   5.725  -5.663  -0.167  C40  L9P   25  
L9P  C41  C26  C  0  1  Y  N  N  66.420  76.569  14.846   5.757  -4.435  -0.753  C41  L9P   26  
L9P  C42  C27  C  0  1  N  N  N  69.686  73.518  16.535   3.951   0.020  -1.199  C42  L9P   27  
L9P  C43  C28  C  0  1  N  N  N  71.159  73.773  16.221   5.192   0.845  -0.856  C43  L9P   28  
L9P  C44  C29  C  0  1  N  N  N  72.056  73.436  17.420   5.268   2.060  -1.784  C44  L9P   29  
L9P  C45  C30  C  0  1  N  N  N  73.525  73.700  17.142   4.904   3.321  -0.998  C45  L9P   30  
L9P  C47  C31  C  0  1  N  N  N  73.076  67.422  12.833  -0.553   3.324  -0.142  C47  L9P   31  
L9P  C49  C32  C  0  1  N  N  N  64.431  76.028  10.508   5.721  -8.139   0.904  C49  L9P   32  
L9P  C50  C33  C  0  1  N  N  N  68.817  63.673  15.667  -6.054   1.887   0.448  C50  L9P   33  
L9P  C52  C34  C  0  1  N  N  N  67.806  69.397  12.000  -0.866  -1.453  -0.059  C52  L9P   34  
L9P  C53  C35  C  0  1  N  N  N  67.033  70.305  11.016  -0.223  -2.824  -0.283  C53  L9P   35  
L9P  C54  C36  C  0  1  N  N  N  75.828  70.893  18.361   3.902   6.838  -1.133  C54  L9P   36  
L9P  C55  C37  C  0  1  N  N  N  72.991  66.077  13.583  -1.770   2.419  -0.344  C55  L9P   37  
L9P  C56  C38  C  0  1  N  N  N  72.080  67.391  11.650  -0.656   4.532  -1.075  C56  L9P   38  
L9P  C57  C39  C  0  1  N  N  N  64.720  66.875  11.348  -6.422  -2.134  -2.056  C57  L9P   39  
L9P  C58  C40  C  0  1  N  N  N  74.501  67.534  12.248   0.723   2.541  -0.460  C58  L9P   40  
L9P  F46  F1   F  0  1  N  N  N  69.019  63.535  14.337  -5.833   1.184   1.638  F46  L9P   41  
L9P  F51  F2   F  0  1  N  N  N  69.937  63.189  16.271  -6.547   3.162   0.745  F51  L9P   42  
L9P  F59  F3   F  0  1  N  N  N  69.482  72.209  16.776   2.806   0.710  -0.785  F59  L9P   43  
L9P  F60  F4   F  0  1  N  N  N  69.358  74.298  17.591   3.897  -0.181  -2.582  F60  L9P   44  
L9P  N03  N1   N  0  1  N  N  R  70.368  69.328  13.815   0.066   1.434   1.732  N03  L9P   45  
L9P  N08  N2   N  0  1  N  N  N  67.898  67.380  15.432  -2.571   0.714  -0.735  N08  L9P   46  
L9P  N11  N3   N  0  1  N  N  N  65.619  66.146  14.175  -3.970  -1.717  -0.331  N11  L9P   47  
L9P  N26  N4   N  0  1  N  N  N  73.695  68.660  14.888   0.395   4.969   1.420  N26  L9P   48  
L9P  N33  N5   N  0  1  Y  N  N  67.840  73.562  13.257   3.142  -2.745   1.165  N33  L9P   49  
L9P  N36  N6   N  0  1  Y  N  N  68.028  75.034  15.635   4.830  -2.240  -0.936  N36  L9P   50  
L9P  O07  O1   O  0  1  N  N  N  68.754  67.007  13.362  -2.507   0.878   1.477  O07  L9P   51  
L9P  O14  O2   O  0  1  N  N  N  64.894  64.202  12.686  -5.481  -2.939   1.133  O14  L9P   52  
L9P  O15  O3   O  0  1  N  N  N  63.347  64.881  14.452  -3.659  -4.115  -0.056  O15  L9P   53  
L9P  O16  O4   O  0  1  N  N  N  66.038  64.203  15.325  -5.876  -0.607  -0.091  O16  L9P   54  
L9P  O21  O5   O  0  1  N  N  N  69.472  72.075  14.125   2.450  -0.538   1.114  O21  L9P   55  
L9P  O24  O6   O  0  1  N  N  N  71.059  67.665  15.213   0.382   2.946   3.319  O24  L9P   56  
L9P  O28  O7   O  0  1  N  N  N  73.661  70.956  14.873   1.811   3.929   0.031  O28  L9P   57  
L9P  O29  O8   O  0  1  N  N  N  74.886  69.764  16.393   2.384   5.966   0.723  O29  L9P   58  
L9P  O48  O9   O  0  1  N  N  N  64.575  76.739  11.737   4.777  -7.189   1.401  O48  L9P   59  
L9P  S12  S1   S  0  1  N  N  N  64.367  65.304  13.488  -4.717  -3.167  -0.043  S12  L9P   60  
L9P  H1   H1   H  0  1  N  N  N  69.058  71.787  12.048   0.868  -1.750   1.728  H1   L9P   61  
L9P  H2   H2   H  0  1  N  N  N  70.603  69.918  11.787  -0.147  -0.162   3.101  H2   L9P   62  
L9P  H3   H3   H  0  1  N  N  N  71.467  70.944  12.982   1.473   0.591   3.064  H3   L9P   63  
L9P  H4   H4   H  0  1  N  N  N  68.856  69.702  15.286  -0.090   1.679  -0.349  H4   L9P   64  
L9P  H5   H5   H  0  1  N  N  N  67.343  70.631  13.736   0.869  -0.353  -0.739  H5   L9P   65  
L9P  H6   H6   H  0  1  N  N  N  69.655  65.677  15.888  -4.110   2.860  -0.041  H6   L9P   66  
L9P  H7   H7   H  0  1  N  N  N  68.234  66.279  17.837  -4.104   2.153  -2.477  H7   L9P   67  
L9P  H8   H8   H  0  1  N  N  N  67.209  64.821  17.613  -5.670   1.216  -2.209  H8   L9P   68  
L9P  H9   H9   H  0  1  N  N  N  61.792  66.257  10.990  -5.659  -4.365  -3.505  H9   L9P   69  
L9P  H10  H10  H  0  1  N  N  N  61.772  65.163  12.415  -4.566  -5.128  -2.230  H10  L9P   70  
L9P  H11  H11  H  0  1  N  N  N  62.263  68.282  12.551  -6.554  -5.376  -0.674  H11  L9P   71  
L9P  H12  H12  H  0  1  N  N  N  62.244  67.188  13.976  -7.647  -4.613  -1.950  H12  L9P   72  
L9P  H13  H13  H  0  1  N  N  N  72.842  69.534  13.207  -1.510   4.087   1.634  H13  L9P   73  
L9P  H14  H14  H  0  1  N  N  N  75.885  71.712  16.286   4.488   5.518   0.594  H14  L9P   74  
L9P  H15  H15  H  0  1  N  N  N  73.616  71.047  18.325   2.591   5.168  -1.880  H15  L9P   75  
L9P  H16  H16  H  0  1  N  N  N  75.445  73.535  18.131   4.461   4.109  -2.954  H16  L9P   76  
L9P  H17  H17  H  0  1  N  N  N  74.028  73.335  19.217   5.630   5.074  -2.020  H17  L9P   77  
L9P  H18  H18  H  0  1  N  N  N  66.157  74.536  11.547   3.206  -5.234   2.056  H18  L9P   78  
L9P  H19  H19  H  0  1  N  N  N  64.948  77.859  13.978   6.421  -6.424  -0.486  H19  L9P   79  
L9P  H20  H20  H  0  1  N  N  N  66.496  77.136  15.762   6.477  -4.224  -1.530  H20  L9P   80  
L9P  H21  H21  H  0  1  N  N  N  71.456  73.148  15.366   5.130   1.181   0.179  H21  L9P   81  
L9P  H22  H22  H  0  1  N  N  N  71.291  74.834  15.963   6.083   0.231  -0.987  H22  L9P   82  
L9P  H23  H23  H  0  1  N  N  N  71.744  74.050  18.277   6.280   2.155  -2.177  H23  L9P   83  
L9P  H24  H24  H  0  1  N  N  N  71.930  72.371  17.666   4.569   1.931  -2.610  H24  L9P   84  
L9P  H25  H25  H  0  1  N  N  N  73.787  73.255  16.171   5.707   3.557  -0.299  H25  L9P   85  
L9P  H26  H26  H  0  1  N  N  N  73.688  74.787  17.104   3.981   3.150  -0.445  H26  L9P   86  
L9P  H27  H27  H  0  1  N  N  N  63.692  76.538   9.873   6.732  -7.765   1.064  H27  L9P   87  
L9P  H28  H28  H  0  1  N  N  N  65.400  75.994   9.988   5.596  -9.085   1.432  H28  L9P   88  
L9P  H29  H29  H  0  1  N  N  N  64.090  75.003  10.715   5.555  -8.294  -0.162  H29  L9P   89  
L9P  H30  H30  H  0  1  N  N  N  67.909  63.151  16.004  -6.781   1.349  -0.161  H30  L9P   90  
L9P  H31  H31  H  0  1  N  N  N  67.162  68.552  12.287  -1.500  -1.490   0.827  H31  L9P   91  
L9P  H32  H32  H  0  1  N  N  N  68.709  69.017  11.500  -1.469  -1.188  -0.927  H32  L9P   92  
L9P  H33  H33  H  0  1  N  N  N  66.753  69.725  10.124  -1.003  -3.572  -0.426  H33  L9P   93  
L9P  H34  H34  H  0  1  N  N  N  66.124  70.686  11.505   0.411  -2.786  -1.169  H34  L9P   94  
L9P  H35  H35  H  0  1  N  N  N  67.671  71.150  10.719   0.380  -3.089   0.585  H35  L9P   95  
L9P  H36  H36  H  0  1  N  N  N  75.816  69.915  18.865   3.136   7.586  -1.338  H36  L9P   96  
L9P  H37  H37  H  0  1  N  N  N  76.705  71.467  18.695   4.931   7.167  -1.281  H37  L9P   97  
L9P  H38  H38  H  0  1  N  N  N  73.694  66.083  14.429  -2.316   2.736  -1.232  H38  L9P   98  
L9P  H39  H39  H  0  1  N  N  N  71.968  65.931  13.959  -1.439   1.388  -0.469  H39  L9P   99  
L9P  H40  H40  H  0  1  N  N  N  73.250  65.258  12.896  -2.422   2.488   0.527  H40  L9P  100  
L9P  H41  H41  H  0  1  N  N  N  71.053  67.311  12.036  -1.564   5.090  -0.848  H41  L9P  101  
L9P  H42  H42  H  0  1  N  N  N  72.180  68.316  11.062   0.211   5.177  -0.931  H42  L9P  102  
L9P  H43  H43  H  0  1  N  N  N  72.299  66.524  11.009  -0.687   4.191  -2.109  H43  L9P  103  
L9P  H44  H44  H  0  1  N  N  N  65.633  67.088  11.923  -7.334  -1.890  -1.512  H44  L9P  104  
L9P  H45  H45  H  0  1  N  N  N  64.914  66.055  10.641  -5.712  -1.312  -1.963  H45  L9P  105  
L9P  H46  H46  H  0  1  N  N  N  64.419  67.775  10.792  -6.657  -2.293  -3.108  H46  L9P  106  
L9P  H47  H47  H  0  1  N  N  N  75.234  67.558  13.068   0.521   1.826  -1.257  H47  L9P  107  
L9P  H48  H48  H  0  1  N  N  N  74.702  66.666  11.603   1.503   3.232  -0.780  H48  L9P  108  
L9P  H49  H49  H  0  1  N  N  N  74.583  68.458  11.656   1.053   2.008   0.431  H49  L9P  109  
L9P  H50  H50  H  0  1  N  N  N  67.712  68.069  16.132  -2.084   0.611  -1.567  H50  L9P  110  
L9P  H51  H51  H  0  1  N  N  N  65.830  67.103  13.975  -3.012  -1.686  -0.477  H51  L9P  111  
L9P  H52  H52  H  0  1  N  N  N  74.065  67.827  15.300   0.180   5.732   1.979  H52  L9P  112  
#   #
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
L9P  C49  O48  SING  N  N    1  
L9P  C53  C52  SING  N  N    2  
L9P  C57  C13  SING  N  N    3  
L9P  C56  C47  SING  N  N    4  
L9P  O48  C39  SING  N  N    5  
L9P  C52  C05  SING  N  N    6  
L9P  C19  C13  SING  N  N    7  
L9P  C19  C20  SING  N  N    8  
L9P  C58  C47  SING  N  N    9  
L9P  C13  C20  SING  N  N   10  
L9P  C13  S12  SING  N  N   11  
L9P  C38  C39  DOUB  Y  N   12  
L9P  C38  C34  SING  Y  N   13  
L9P  C39  C40  SING  Y  N   14  
L9P  O14  S12  DOUB  N  N   15  
L9P  C02  C01  SING  N  N   16  
L9P  C02  N03  SING  N  N   17  
L9P  C47  C55  SING  N  N   18  
L9P  C47  C25  SING  N  N   19  
L9P  C01  C05  SING  N  N   20  
L9P  C01  O21  SING  N  N   21  
L9P  N33  C34  DOUB  Y  N   22  
L9P  N33  C22  SING  Y  N   23  
L9P  C05  C04  SING  N  N   24  
L9P  O07  C06  DOUB  N  N   25  
L9P  C34  C35  SING  Y  N   26  
L9P  S12  N11  SING  N  N   27  
L9P  S12  O15  DOUB  N  N   28  
L9P  C25  C23  SING  N  N   29  
L9P  C25  N26  SING  N  N   30  
L9P  N03  C04  SING  N  N   31  
L9P  N03  C23  SING  N  N   32  
L9P  C40  C41  DOUB  Y  N   33  
L9P  O21  C22  SING  N  N   34  
L9P  N11  C10  SING  N  N   35  
L9P  C22  C37  DOUB  Y  N   36  
L9P  C04  C06  SING  N  N   37  
L9P  C06  N08  SING  N  N   38  
L9P  C23  O24  DOUB  N  N   39  
L9P  F46  C50  SING  N  N   40  
L9P  C35  C41  SING  Y  N   41  
L9P  C35  N36  DOUB  Y  N   42  
L9P  O28  C27  DOUB  N  N   43  
L9P  N26  C27  SING  N  N   44  
L9P  C10  O16  DOUB  N  N   45  
L9P  C10  C09  SING  N  N   46  
L9P  C27  O29  SING  N  N   47  
L9P  C37  N36  SING  Y  N   48  
L9P  C37  C42  SING  N  N   49  
L9P  N08  C09  SING  N  N   50  
L9P  C50  C17  SING  N  N   51  
L9P  C50  F51  SING  N  N   52  
L9P  C09  C17  SING  N  N   53  
L9P  C09  C18  SING  N  N   54  
L9P  C17  C18  SING  N  N   55  
L9P  C43  C42  SING  N  N   56  
L9P  C43  C44  SING  N  N   57  
L9P  O29  C30  SING  N  N   58  
L9P  C42  F59  SING  N  N   59  
L9P  C42  F60  SING  N  N   60  
L9P  C30  C31  SING  N  N   61  
L9P  C30  C54  SING  N  N   62  
L9P  C45  C44  SING  N  N   63  
L9P  C45  C32  SING  N  N   64  
L9P  C31  C32  SING  N  N   65  
L9P  C31  C54  SING  N  N   66  
L9P  C01  H1   SING  N  N   67  
L9P  C02  H2   SING  N  N   68  
L9P  C02  H3   SING  N  N   69  
L9P  C04  H4   SING  N  N   70  
L9P  C05  H5   SING  N  N   71  
L9P  C17  H6   SING  N  N   72  
L9P  C18  H7   SING  N  N   73  
L9P  C18  H8   SING  N  N   74  
L9P  C19  H9   SING  N  N   75  
L9P  C19  H10  SING  N  N   76  
L9P  C20  H11  SING  N  N   77  
L9P  C20  H12  SING  N  N   78  
L9P  C25  H13  SING  N  N   79  
L9P  C30  H14  SING  N  N   80  
L9P  C31  H15  SING  N  N   81  
L9P  C32  H16  SING  N  N   82  
L9P  C32  H17  SING  N  N   83  
L9P  C38  H18  SING  N  N   84  
L9P  C40  H19  SING  N  N   85  
L9P  C41  H20  SING  N  N   86  
L9P  C43  H21  SING  N  N   87  
L9P  C43  H22  SING  N  N   88  
L9P  C44  H23  SING  N  N   89  
L9P  C44  H24  SING  N  N   90  
L9P  C45  H25  SING  N  N   91  
L9P  C45  H26  SING  N  N   92  
L9P  C49  H27  SING  N  N   93  
L9P  C49  H28  SING  N  N   94  
L9P  C49  H29  SING  N  N   95  
L9P  C50  H30  SING  N  N   96  
L9P  C52  H31  SING  N  N   97  
L9P  C52  H32  SING  N  N   98  
L9P  C53  H33  SING  N  N   99  
L9P  C53  H34  SING  N  N  100  
L9P  C53  H35  SING  N  N  101  
L9P  C54  H36  SING  N  N  102  
L9P  C54  H37  SING  N  N  103  
L9P  C55  H38  SING  N  N  104  
L9P  C55  H39  SING  N  N  105  
L9P  C55  H40  SING  N  N  106  
L9P  C56  H41  SING  N  N  107  
L9P  C56  H42  SING  N  N  108  
L9P  C56  H43  SING  N  N  109  
L9P  C57  H44  SING  N  N  110  
L9P  C57  H45  SING  N  N  111  
L9P  C57  H46  SING  N  N  112  
L9P  C58  H47  SING  N  N  113  
L9P  C58  H48  SING  N  N  114  
L9P  C58  H49  SING  N  N  115  
L9P  N08  H50  SING  N  N  116  
L9P  N11  H51  SING  N  N  117  
L9P  N26  H52  SING  N  N  118  
#   #
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
L9P  SMILES            ACDLabs               12.01  "C63C(C(C(NC1(C(C1)C(F)F)C(=O)NS(C2(CC2)C)(=O)=O)=O)N(C3)C(=O)C(NC(OC7C(CCCCC(c5c(nc4c(ccc(c4)OC)n5)O6)(F)F)C7)=O)C(C)(C)C)CC"  
L9P  InChI             InChI                 1.03   "InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1"  
L9P  InChIKey          InChI                 1.03   MZBLZLWXUBZHSL-FZNJKFJKSA-N  
L9P  SMILES_CANONICAL  CACTVS                3.385  "CC[C@@H]1[C@@H]2C[N@]([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)N[S](=O)(=O)C4(C)CC4)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(F)(F)c6nc7ccc(OC)cc7nc6O2)C(C)(C)C"  
L9P  SMILES            CACTVS                3.385  "CC[CH]1[CH]2C[N]([CH]1C(=O)N[C]3(C[CH]3C(F)F)C(=O)N[S](=O)(=O)C4(C)CC4)C(=O)[CH](NC(=O)O[CH]5C[CH]5CCCCC(F)(F)c6nc7ccc(OC)cc7nc6O2)C(C)(C)C"  
L9P  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C"  
L9P  SMILES            "OpenEye OEToolkits"  2.0.7  "CCC1C2CN(C1C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)C(NC(=O)OC5CC5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C"  
#
_pdbx_chem_comp_identifier.comp_id          L9P
_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       "(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide"
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
L9P  "Create component"  2019-02-15  RCSB  
L9P  "Modify synonyms"   2019-02-15  RCSB  
L9P  "Initial release"   2019-07-10  RCSB  
L9P  "Modify synonyms"   2021-03-13  RCSB  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     L9P
_pdbx_chem_comp_synonyms.name        "(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide"
_pdbx_chem_comp_synonyms.provenance  PDB
_pdbx_chem_comp_synonyms.type        ?
##
