data_I1W
#

_chem_comp.id                                   I1W
_chem_comp.name                                 "(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C33 H48 N6 O5 S"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2022-01-06
_chem_comp.pdbx_modified_date                   2022-02-25
_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                       640.836
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    I1W
_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       7TDU
_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
I1W  C2   C1   C  0  1  N  N  S  14.389   3.031  -16.174   -4.139  -1.259  -0.728  C2   I1W   1  
I1W  C3   C2   C  0  1  Y  N  N  15.261   3.680  -17.275   -5.379  -0.754  -0.038  C3   I1W   2  
I1W  C5   C3   C  0  1  Y  N  N  15.887   4.348  -19.295   -6.926  -0.640   1.591  C5   I1W   3  
I1W  C6   C4   C  0  1  Y  N  N  15.815   4.569  -20.715   -7.606  -0.923   2.793  C6   I1W   4  
I1W  C8   C5   C  0  1  Y  N  N  18.039   5.647  -20.634   -9.260   0.722   2.270  C8   I1W   5  
I1W  C9   C6   C  0  1  Y  N  N  18.130   5.437  -19.234   -8.617   1.020   1.089  C9   I1W   6  
I1W  C10  C7   C  0  1  Y  N  N  17.039   4.790  -18.573   -7.450   0.343   0.743  C10  I1W   7  
I1W  C18  C8   C  0  1  N  N  S  14.319   1.512  -16.475   -3.021  -0.223  -0.591  C18  I1W   8  
I1W  C19  C9   C  0  1  N  N  N  13.427   0.691  -15.543   -3.412   1.051  -1.343  C19  I1W   9  
I1W  C31  C10  C  0  1  N  N  S  17.204  -3.530  -18.584    3.776   0.114   0.762  C31  I1W  10  
I1W  C33  C11  C  0  1  N  N  N  14.758  -4.463  -18.289    2.164   0.420   2.646  C33  I1W  11  
I1W  C34  C12  C  0  1  N  N  N  15.234  -2.696  -19.978    4.560   1.068   2.934  C34  I1W  12  
I1W  C37  C13  C  0  1  N  N  N  19.149  -4.955  -17.963    6.176   0.439   0.495  C37  I1W  13  
I1W  C39  C14  C  0  1  N  N  N  20.993  -6.401  -16.852    8.593   0.695   0.323  C39  I1W  14  
I1W  C40  C15  C  0  1  N  N  N  21.272  -7.352  -18.024    8.851  -0.812   0.267  C40  I1W  15  
I1W  C41  C16  C  0  1  N  N  N  20.981  -7.162  -15.525    8.747   1.186   1.764  C41  I1W  16  
I1W  C42  C17  C  0  1  N  N  N  22.098  -5.322  -16.775    9.600   1.419  -0.573  C42  I1W  17  
I1W  O1   O1   O  0  1  N  N  N  13.112   3.621  -16.195   -4.419  -1.478  -2.112  O1   I1W  18  
I1W  N4   N1   N  0  1  Y  N  N  14.919   3.732  -18.516   -5.800  -1.184   1.091  N4   I1W  19  
I1W  C7   C18  C  0  1  Y  N  N  16.893   5.219  -21.371   -8.746  -0.251   3.115  C7   I1W  20  
I1W  S11  S1   S  0  1  Y  N  N  16.836   4.381  -16.872   -6.394   0.468  -0.660  S11  I1W  21  
I1W  C20  C19  C  0  1  N  N  S  13.173  -0.728  -15.984   -2.375   2.142  -1.070  C20  I1W  22  
I1W  C21  C20  C  0  1  N  N  N  12.182  -0.915  -17.139   -2.924   3.526  -1.487  C21  I1W  23  
I1W  C22  C21  C  0  1  N  N  N  11.576  -2.290  -16.899   -1.657   4.213  -2.044  C22  I1W  24  
I1W  N23  N2   N  0  1  N  N  N  11.746  -2.463  -15.466   -0.780   3.120  -2.482  N23  I1W  25  
I1W  C24  C22  C  0  1  N  N  N  12.610  -1.614  -14.900   -1.157   1.946  -1.946  C24  I1W  26  
I1W  O25  O2   O  0  1  N  N  N  12.883  -1.583  -13.708   -0.601   0.885  -2.136  O25  I1W  27  
I1W  N26  N3   N  0  1  N  N  N  15.655   0.940  -16.418   -1.782  -0.764  -1.157  N26  I1W  28  
I1W  C27  C23  C  0  1  N  N  N  16.439   0.582  -17.457   -0.686  -0.889  -0.383  C27  I1W  29  
I1W  C28  C24  C  0  1  N  N  S  17.845   0.037  -17.230    0.616  -1.344  -0.989  C28  I1W  30  
I1W  N29  N4   N  0  1  N  N  N  17.980  -1.240  -17.957    1.747  -1.016  -0.090  N29  I1W  31  
I1W  C30  C25  C  0  1  N  N  N  17.208  -2.320  -17.634    2.610   0.014  -0.188  C30  I1W  32  
I1W  C32  C26  C  0  1  N  N  N  15.810  -3.925  -19.259    3.393   1.004   1.946  C32  I1W  33  
I1W  C35  C27  C  0  1  N  N  N  16.086  -4.990  -20.325    3.073   2.413   1.443  C35  I1W  34  
I1W  N36  N5   N  0  1  N  N  N  17.826  -4.574  -17.761    4.925   0.697   0.065  N36  I1W  35  
I1W  N38  N6   N  0  1  N  N  N  19.620  -5.795  -16.991    7.233   0.975  -0.146  N38  I1W  36  
I1W  O43  O3   O  0  1  N  N  N  19.821  -4.545  -18.946    6.350  -0.277   1.463  O43  I1W  37  
I1W  O44  O4   O  0  1  N  N  N  16.493  -2.339  -16.605    2.449   0.861  -1.042  O44  I1W  38  
I1W  C45  C28  C  0  1  N  N  N  19.002  -1.167  -19.018    1.713  -2.078   0.943  C45  I1W  39  
I1W  C46  C29  C  0  1  N  N  S  19.589   0.231  -18.961    1.370  -3.367   0.166  C46  I1W  40  
I1W  C47  C30  C  0  1  N  N  N  21.294   1.881  -17.978    2.040  -4.996  -1.767  C47  I1W  41  
I1W  C48  C31  C  0  1  N  N  N  20.984  -0.323  -16.733    3.215  -2.699  -1.563  C48  I1W  42  
I1W  C49  C32  C  0  1  N  N  R  18.895   0.988  -17.860    0.647  -2.883  -1.108  C49  I1W  43  
I1W  O50  O5   O  0  1  N  N  N  15.995   0.674  -18.606   -0.748  -0.637   0.802  O50  I1W  44  
I1W  C1B  C33  C  0  1  N  N  N  20.401   0.672  -17.745    2.009  -3.572  -1.209  C1B  I1W  45  
I1W  H1   H1   H  0  1  N  N  N  14.875   3.180  -15.199   -3.823  -2.197  -0.269  H1   I1W  46  
I1W  H53  H2   H  0  1  N  N  N  14.951   4.244  -21.275   -7.220  -1.678   3.462  H53  I1W  47  
I1W  H55  H3   H  0  1  N  N  N  18.850   6.139  -21.151  -10.164   1.247   2.539  H55  I1W  48  
I1W  H56  H4   H  0  1  N  N  N  19.001   5.757  -18.681   -9.017   1.777   0.432  H56  I1W  49  
I1W  H61  H5   H  0  1  N  N  N  13.930   1.396  -17.498   -2.868   0.009   0.463  H61  I1W  50  
I1W  H63  H6   H  0  1  N  N  N  13.906   0.659  -14.553   -3.449   0.845  -2.412  H63  I1W  51  
I1W  H62  H7   H  0  1  N  N  N  12.456   1.202  -15.464   -4.391   1.387  -1.003  H62  I1W  52  
I1W  H72  H8   H  0  1  N  N  N  17.893  -3.295  -19.409    4.036  -0.881   1.123  H72  I1W  53  
I1W  H75  H9   H  0  1  N  N  N  13.839  -4.706  -18.842    2.392  -0.584   3.003  H75  I1W  54  
I1W  H74  H10  H  0  1  N  N  N  15.141  -5.370  -17.799    1.893   1.053   3.491  H74  I1W  55  
I1W  H73  H11  H  0  1  N  N  N  14.537  -3.700  -17.528    1.333   0.376   1.943  H73  I1W  56  
I1W  H78  H12  H  0  1  N  N  N  14.274  -2.960  -20.445    5.436   1.483   2.435  H78  I1W  57  
I1W  H76  H13  H  0  1  N  N  N  15.077  -1.886  -19.251    4.288   1.701   3.778  H76  I1W  58  
I1W  H77  H14  H  0  1  N  N  N  15.939  -2.361  -20.753    4.789   0.064   3.292  H77  I1W  59  
I1W  H86  H15  H  0  1  N  N  N  21.276  -6.783  -18.966    8.134  -1.327   0.905  H86  I1W  60  
I1W  H84  H16  H  0  1  N  N  N  22.252  -7.832  -17.882    8.742  -1.161  -0.760  H84  I1W  61  
I1W  H85  H17  H  0  1  N  N  N  20.489  -8.123  -18.065    9.863  -1.020   0.615  H85  I1W  62  
I1W  H87  H18  H  0  1  N  N  N  20.780  -6.461  -14.702    9.759   0.978   2.112  H87  I1W  63  
I1W  H89  H19  H  0  1  N  N  N  20.196  -7.932  -15.551    8.563   2.259   1.804  H89  I1W  64  
I1W  H88  H20  H  0  1  N  N  N  21.959  -7.641  -15.368    8.030   0.670   2.402  H88  I1W  65  
I1W  H92  H21  H  0  1  N  N  N  21.892  -4.644  -15.933    9.490   1.070  -1.600  H92  I1W  66  
I1W  H91  H22  H  0  1  N  N  N  23.074  -5.807  -16.625    9.416   2.493  -0.533  H91  I1W  67  
I1W  H90  H23  H  0  1  N  N  N  22.115  -4.747  -17.713   10.612   1.211  -0.225  H90  I1W  68  
I1W  H2   H24  H  0  1  N  N  N  12.570   3.228  -15.521   -4.706  -0.684  -2.585  H2   I1W  69  
I1W  H54  H25  H  0  1  N  N  N  16.846   5.391  -22.436   -9.257  -0.479   4.039  H54  I1W  70  
I1W  H64  H26  H  0  1  N  N  N  14.135  -1.157  -16.302   -2.093   2.145  -0.017  H64  I1W  71  
I1W  H66  H27  H  0  1  N  N  N  11.404  -0.137  -17.114   -3.686   3.427  -2.260  H66  I1W  72  
I1W  H65  H28  H  0  1  N  N  N  12.702  -0.883  -18.108   -3.313   4.068  -0.625  H65  I1W  73  
I1W  H67  H29  H  0  1  N  N  N  10.512  -2.310  -17.178   -1.914   4.851  -2.889  H67  I1W  74  
I1W  H68  H30  H  0  1  N  N  N  12.117  -3.066  -17.460   -1.170   4.797  -1.263  H68  I1W  75  
I1W  H69  H31  H  0  1  N  N  N  11.256  -3.162  -14.945   -0.026   3.230  -3.082  D69  I1W  76  
I1W  H70  H32  H  0  1  N  N  N  16.036   0.795  -15.505   -1.751  -1.031  -2.089  D70  I1W  77  
I1W  H71  H33  H  0  1  N  N  N  18.042  -0.091  -16.155    0.762  -0.882  -1.966  H71  I1W  78  
I1W  H81  H34  H  0  1  N  N  N  15.141  -5.281  -20.807    2.177   2.382   0.824  H81  I1W  79  
I1W  H80  H35  H  0  1  N  N  N  16.773  -4.582  -21.081    2.904   3.072   2.295  H80  I1W  80  
I1W  H79  H36  H  0  1  N  N  N  16.543  -5.872  -19.852    3.910   2.787   0.854  H79  I1W  81  
I1W  H82  H37  H  0  1  N  N  N  17.290  -5.019  -17.043    4.786   1.268  -0.707  D82  I1W  82  
I1W  H83  H38  H  0  1  N  N  N  18.965  -6.040  -16.276    7.094   1.546  -0.917  D83  I1W  83  
I1W  H94  H39  H  0  1  N  N  N  19.788  -1.916  -18.840    2.687  -2.172   1.424  H94  I1W  84  
I1W  H93  H40  H  0  1  N  N  N  18.542  -1.345  -20.001    0.942  -1.864   1.683  H93  I1W  85  
I1W  H52  H41  H  0  1  N  N  N  19.771   0.752  -19.913    1.014  -4.223   0.739  H52  I1W  86  
I1W  H97  H42  H  0  1  N  N  N  21.835   2.122  -17.051    1.443  -5.649  -1.130  H97  I1W  87  
I1W  H95  H43  H  0  1  N  N  N  22.016   1.655  -18.776    1.629  -4.999  -2.777  H95  I1W  88  
I1W  H96  H44  H  0  1  N  N  N  20.676   2.741  -18.275    3.069  -5.354  -1.792  H96  I1W  89  
I1W  H98  H45  H  0  1  N  N  N  21.526   0.226  -15.949    4.110  -3.319  -1.611  H98  I1W  90  
I1W  H99  H46  H  0  1  N  N  N  20.168  -0.903  -16.277    3.049  -2.225  -2.531  H99  I1W  91  
I1W  H10  H47  H  0  1  N  N  N  21.676  -1.006  -17.247    3.345  -1.931  -0.800  H10  I1W  92  
I1W  H51  H48  H  0  1  N  N  N  18.599   2.032  -18.041   -0.249  -3.378  -1.484  H51  I1W  93  
#   #
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
I1W  C2   C3   SING  N  N   1  
I1W  C2   C18  SING  N  N   2  
I1W  C2   O1   SING  N  N   3  
I1W  C3   N4   DOUB  Y  N   4  
I1W  C3   S11  SING  Y  N   5  
I1W  C5   C6   DOUB  Y  N   6  
I1W  C5   C10  SING  Y  N   7  
I1W  C5   N4   SING  Y  N   8  
I1W  C6   C7   SING  Y  N   9  
I1W  C8   C9   SING  Y  N  10  
I1W  C8   C7   DOUB  Y  N  11  
I1W  C9   C10  DOUB  Y  N  12  
I1W  C10  S11  SING  Y  N  13  
I1W  C18  C19  SING  N  N  14  
I1W  C18  N26  SING  N  N  15  
I1W  C19  C20  SING  N  N  16  
I1W  C31  C30  SING  N  N  17  
I1W  C31  C32  SING  N  N  18  
I1W  C31  N36  SING  N  N  19  
I1W  C33  C32  SING  N  N  20  
I1W  C34  C32  SING  N  N  21  
I1W  C37  N36  SING  N  N  22  
I1W  C37  N38  SING  N  N  23  
I1W  C37  O43  DOUB  N  N  24  
I1W  C39  C40  SING  N  N  25  
I1W  C39  C41  SING  N  N  26  
I1W  C39  C42  SING  N  N  27  
I1W  C39  N38  SING  N  N  28  
I1W  C20  C21  SING  N  N  29  
I1W  C20  C24  SING  N  N  30  
I1W  C21  C22  SING  N  N  31  
I1W  C22  N23  SING  N  N  32  
I1W  N23  C24  SING  N  N  33  
I1W  C24  O25  DOUB  N  N  34  
I1W  N26  C27  SING  N  N  35  
I1W  C27  C28  SING  N  N  36  
I1W  C27  O50  DOUB  N  N  37  
I1W  C28  N29  SING  N  N  38  
I1W  C28  C49  SING  N  N  39  
I1W  N29  C30  SING  N  N  40  
I1W  N29  C45  SING  N  N  41  
I1W  C30  O44  DOUB  N  N  42  
I1W  C32  C35  SING  N  N  43  
I1W  C45  C46  SING  N  N  44  
I1W  C46  C49  SING  N  N  45  
I1W  C46  C1B  SING  N  N  46  
I1W  C47  C1B  SING  N  N  47  
I1W  C48  C1B  SING  N  N  48  
I1W  C49  C1B  SING  N  N  49  
I1W  C2   H1   SING  N  N  50  
I1W  C6   H53  SING  N  N  51  
I1W  C8   H55  SING  N  N  52  
I1W  C9   H56  SING  N  N  53  
I1W  C18  H61  SING  N  N  54  
I1W  C19  H63  SING  N  N  55  
I1W  C19  H62  SING  N  N  56  
I1W  C31  H72  SING  N  N  57  
I1W  C33  H75  SING  N  N  58  
I1W  C33  H74  SING  N  N  59  
I1W  C33  H73  SING  N  N  60  
I1W  C34  H78  SING  N  N  61  
I1W  C34  H76  SING  N  N  62  
I1W  C34  H77  SING  N  N  63  
I1W  C40  H86  SING  N  N  64  
I1W  C40  H84  SING  N  N  65  
I1W  C40  H85  SING  N  N  66  
I1W  C41  H87  SING  N  N  67  
I1W  C41  H89  SING  N  N  68  
I1W  C41  H88  SING  N  N  69  
I1W  C42  H92  SING  N  N  70  
I1W  C42  H91  SING  N  N  71  
I1W  C42  H90  SING  N  N  72  
I1W  O1   H2   SING  N  N  73  
I1W  C7   H54  SING  N  N  74  
I1W  C20  H64  SING  N  N  75  
I1W  C21  H66  SING  N  N  76  
I1W  C21  H65  SING  N  N  77  
I1W  C22  H67  SING  N  N  78  
I1W  C22  H68  SING  N  N  79  
I1W  N23  H69  SING  N  N  80  
I1W  N26  H70  SING  N  N  81  
I1W  C28  H71  SING  N  N  82  
I1W  C35  H81  SING  N  N  83  
I1W  C35  H80  SING  N  N  84  
I1W  C35  H79  SING  N  N  85  
I1W  N36  H82  SING  N  N  86  
I1W  N38  H83  SING  N  N  87  
I1W  C45  H94  SING  N  N  88  
I1W  C45  H93  SING  N  N  89  
I1W  C46  H52  SING  N  N  90  
I1W  C47  H97  SING  N  N  91  
I1W  C47  H95  SING  N  N  92  
I1W  C47  H96  SING  N  N  93  
I1W  C48  H98  SING  N  N  94  
I1W  C48  H99  SING  N  N  95  
I1W  C48  H10  SING  N  N  96  
I1W  C49  H51  SING  N  N  97  
#   #
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
I1W  SMILES            ACDLabs               12.01  "CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C"  
I1W  InChI             InChI                 1.03   "InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4"  
I1W  InChIKey          InChI                 1.03   ARSJHDLARMCGPB-GBACRSPZSA-N  
I1W  SMILES_CANONICAL  CACTVS                3.385  "CC(C)(C)N(C(=O)N([C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N([C@@H](C[C@@H]3CCN(C3=O)[2H])[C@H](O)c4sc5ccccc5n4)[2H])C2(C)C)C(C)(C)C)[2H])[2H]"  
I1W  SMILES            CACTVS                3.385  "CC(C)(C)N(C(=O)N([CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N([CH](C[CH]3CCN(C3=O)[2H])[CH](O)c4sc5ccccc5n4)[2H])C2(C)C)C(C)(C)C)[2H])[2H]"  
I1W  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C"  
I1W  SMILES            "OpenEye OEToolkits"  2.0.7  "CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(c4nc5ccccc5s4)O)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
I1W  "SYSTEMATIC NAME"  ACDLabs               12.01  "(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide"  
I1W  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "(1~{R},2~{S},5~{S})-~{N}-[(1~{S},2~{S})-1-(1,3-benzothiazol-2-yl)-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-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
I1W  "Create component"  2022-01-06  RCSB  
I1W  "Initial release"   2022-03-02  RCSB  
##
