data_9H7
# 
_chem_comp.id                                    9H7 
_chem_comp.name                                  
"tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C38 H46 N6 O8 S2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2017-05-11 
_chem_comp.pdbx_modified_date                    2017-06-16 
_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                        778.937 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     9H7 
_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        5VP9 
_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 
9H7 C10  C1  C 0 1 Y N N -13.105 -14.159 14.973 -13.105 -14.159 14.973 C10  9H7 1   
9H7 C13  C2  C 0 1 N N R -13.901 -17.279 17.024 -13.901 -17.279 17.024 C13  9H7 2   
9H7 C15  C3  C 0 1 N N S -13.362 -19.139 15.646 -13.362 -19.139 15.646 C15  9H7 3   
9H7 C17  C4  C 0 1 N N N -15.914 -20.160 15.672 -15.914 -20.160 15.672 C17  9H7 4   
9H7 C20  C5  C 0 1 N N N -16.687 -23.295 18.501 -16.687 -23.295 18.501 C20  9H7 5   
9H7 C21  C6  C 0 1 N N N -15.787 -24.274 16.350 -15.787 -24.274 16.350 C21  9H7 6   
9H7 C22  C7  C 0 1 N N N -14.795 -25.308 15.745 -14.795 -25.308 15.745 C22  9H7 7   
9H7 C01  C8  C 0 1 N N N -15.061 -17.973 17.163 -15.061 -17.973 17.163 C01  9H7 8   
9H7 C02  C9  C 0 1 N N S -17.332 -20.126 16.242 -17.332 -20.126 16.242 C02  9H7 9   
9H7 C03  C10 C 0 1 N N N -16.466 -21.842 17.975 -16.466 -21.842 17.975 C03  9H7 10  
9H7 C04  C11 C 0 1 N N N -15.594 -24.222 17.887 -15.594 -24.222 17.887 C04  9H7 11  
9H7 C05  C12 C 0 1 N N N -13.729 -24.951 14.978 -13.729 -24.951 14.978 C05  9H7 12  
9H7 C06  C13 C 0 1 N N S -13.387 -23.469 14.637 -13.387 -23.469 14.637 C06  9H7 13  
9H7 C07  C14 C 0 1 N N N -12.677 -23.787 13.313 -12.677 -23.787 13.313 C07  9H7 14  
9H7 C08  C15 C 0 1 Y N N -14.166 -13.158 12.748 -14.166 -13.158 12.748 C08  9H7 15  
9H7 C09  C16 C 0 1 Y N N -13.959 -14.254 13.696 -13.959 -14.254 13.696 C09  9H7 16  
9H7 C11  C17 C 0 1 Y N N -13.174 -15.231 16.102 -13.174 -15.231 16.102 C11  9H7 17  
9H7 C14  C18 C 0 1 N N N -12.744 -18.419 16.580 -12.744 -18.419 16.580 C14  9H7 18  
9H7 C19  C19 C 0 1 N N N -17.580 -21.482 16.923 -17.580 -21.482 16.923 C19  9H7 19  
9H7 C23  C20 C 0 1 N N R -12.164 -22.651 14.192 -12.164 -22.651 14.192 C23  9H7 20  
9H7 C25  C21 C 0 1 N N N -12.999 -20.636 15.641 -12.999 -20.636 15.641 C25  9H7 21  
9H7 C27  C22 C 0 1 N N N -10.923 -23.123 14.977 -10.923 -23.123 14.977 C27  9H7 22  
9H7 C33  C23 C 0 1 N N N -8.094  -21.892 17.547 -8.094  -21.892 17.547 C33  9H7 23  
9H7 C34  C24 C 0 1 N N N -6.835  -21.294 16.921 -6.835  -21.294 16.921 C34  9H7 24  
9H7 C35  C25 C 0 1 N N N -6.716  -22.321 18.056 -6.716  -22.321 18.056 C35  9H7 25  
9H7 C37  C26 C 0 1 N N N -18.558 -18.602 14.637 -18.558 -18.602 14.637 C37  9H7 26  
9H7 C40  C27 C 0 1 N N N -19.958 -17.225 13.170 -19.958 -17.225 13.170 C40  9H7 27  
9H7 C41  C28 C 0 1 N N N -20.549 -16.553 14.438 -20.549 -16.553 14.438 C41  9H7 28  
9H7 C42  C29 C 0 1 N N N -21.118 -17.489 12.173 -21.118 -17.489 12.173 C42  9H7 29  
9H7 C43  C30 C 0 1 N N N -18.901 -16.305 12.498 -18.901 -16.305 12.498 C43  9H7 30  
9H7 C45  C31 C 0 1 Y N N -11.445 -13.898 17.418 -11.445 -13.898 17.418 C45  9H7 31  
9H7 C46  C32 C 0 1 Y N N -10.556 -13.741 18.692 -10.556 -13.741 18.692 C46  9H7 32  
9H7 C47  C33 C 0 1 Y N N -9.619  -12.531 18.818 -9.619  -12.531 18.818 C47  9H7 33  
9H7 C48  C34 C 0 1 Y N N -9.561  -11.482 17.690 -9.561  -11.482 17.690 C48  9H7 34  
9H7 C49  C35 C 0 1 Y N N -10.432 -11.640 16.436 -10.432 -11.640 16.436 C49  9H7 35  
9H7 C50  C36 C 0 1 Y N N -11.381 -12.866 16.310 -11.381 -12.866 16.310 C50  9H7 36  
9H7 C52  C37 C 0 1 Y N N -15.125 -13.707 11.577 -15.125 -13.707 11.577 C52  9H7 37  
9H7 C54  C38 C 0 1 Y N N -15.457 -15.100 11.861 -15.457 -15.100 11.861 C54  9H7 38  
9H7 N16  N1  N 0 1 N N N -14.907 -19.161 16.137 -14.907 -19.161 16.137 N16  9H7 39  
9H7 N24  N2  N 0 1 N N N -12.504 -21.201 14.384 -12.504 -21.201 14.384 N24  9H7 40  
9H7 N29  N3  N 0 1 N N N -10.316 -22.360 15.795 -10.316 -22.360 15.795 N29  9H7 41  
9H7 N36  N4  N 0 1 N N N -18.302 -19.946 15.181 -18.302 -19.946 15.181 N36  9H7 42  
9H7 N44  N5  N 0 1 Y N N -12.343 -15.066 17.289 -12.343 -15.066 17.289 N44  9H7 43  
9H7 N51  N6  N 0 1 Y N N -12.215 -13.014 15.097 -12.215 -13.014 15.097 N51  9H7 44  
9H7 O12  O1  O 0 1 N N N -14.049 -16.348 15.978 -14.049 -16.348 15.978 O12  9H7 45  
9H7 O18  O2  O 0 1 N N N -15.594 -20.999 14.887 -15.594 -20.999 14.887 O18  9H7 46  
9H7 O26  O3  O 0 1 N N N -13.150 -21.313 16.606 -13.150 -21.313 16.606 O26  9H7 47  
9H7 O28  O4  O 0 1 N N N -10.417 -24.391 14.768 -10.417 -24.391 14.768 O28  9H7 48  
9H7 O31  O5  O 0 1 N N N -8.103  -23.730 15.483 -8.103  -23.730 15.483 O31  9H7 49  
9H7 O32  O6  O 0 1 N N N -9.424  -24.269 17.318 -9.424  -24.269 17.318 O32  9H7 50  
9H7 O38  O7  O 0 1 N N N -18.057 -17.650 15.150 -18.057 -17.650 15.150 O38  9H7 51  
9H7 O39  O8  O 0 1 N N N -19.387 -18.497 13.484 -19.387 -18.497 13.484 O39  9H7 52  
9H7 S30  S1  S 0 1 N N N -8.971  -23.129 16.504 -8.971  -23.129 16.504 S30  9H7 53  
9H7 S53  S2  S 0 1 Y N N -14.746 -15.499 13.196 -14.746 -15.499 13.196 S53  9H7 54  
9H7 H131 H1  H 0 0 N N N -13.574 -16.801 17.959 -13.574 -16.801 17.959 H131 9H7 55  
9H7 H151 H2  H 0 0 N N N -13.299 -18.717 14.632 -13.299 -18.717 14.632 H151 9H7 56  
9H7 H202 H3  H 0 0 N N N -16.609 -23.307 19.598 -16.609 -23.307 19.598 H202 9H7 57  
9H7 H201 H4  H 0 0 N N N -17.684 -23.649 18.201 -17.684 -23.649 18.201 H201 9H7 58  
9H7 H211 H5  H 0 0 N N N -15.590 -23.281 15.921 -15.590 -23.281 15.921 H211 9H7 59  
9H7 H212 H6  H 0 0 N N N -16.819 -24.576 16.119 -16.819 -24.576 16.119 H212 9H7 60  
9H7 H221 H7  H 0 0 N N N -14.960 -26.357 15.943 -14.960 -26.357 15.943 H221 9H7 61  
9H7 H012 H8  H 0 0 N N N -15.171 -18.352 18.190 -15.171 -18.352 18.190 H012 9H7 62  
9H7 H011 H9  H 0 0 N N N -15.928 -17.345 16.909 -15.927 -17.345 16.909 H011 9H7 63  
9H7 H021 H10 H 0 0 N N N -17.413 -19.320 16.986 -17.413 -19.320 16.986 H021 9H7 64  
9H7 H031 H11 H 0 0 N N N -16.517 -21.137 18.818 -16.517 -21.137 18.817 H031 9H7 65  
9H7 H032 H12 H 0 0 N N N -15.477 -21.772 17.498 -15.477 -21.772 17.498 H032 9H7 66  
9H7 H041 H13 H 0 0 N N N -14.596 -23.822 18.121 -14.596 -23.822 18.121 H041 9H7 67  
9H7 H042 H14 H 0 0 N N N -15.690 -25.235 18.306 -15.690 -25.235 18.306 H042 9H7 68  
9H7 H051 H15 H 0 0 N N N -13.091 -25.730 14.588 -13.091 -25.730 14.588 H051 9H7 69  
9H7 H061 H16 H 0 0 N N N -14.312 -22.905 14.447 -14.312 -22.904 14.447 H061 9H7 70  
9H7 H072 H17 H 0 0 N N N -12.090 -24.712 13.213 -12.090 -24.712 13.213 H072 9H7 71  
9H7 H071 H18 H 0 0 N N N -13.171 -23.561 12.357 -13.171 -23.561 12.357 H071 9H7 72  
9H7 H081 H19 H 0 0 N N N -13.751 -12.163 12.821 -13.751 -12.163 12.821 H081 9H7 73  
9H7 H141 H20 H 0 0 N N N -11.847 -17.931 16.171 -11.847 -17.931 16.171 H141 9H7 74  
9H7 H142 H21 H 0 0 N N N -12.461 -19.047 17.438 -12.461 -19.047 17.438 H142 9H7 75  
9H7 H191 H22 H 0 0 N N N -18.552 -21.446 17.437 -18.552 -21.446 17.437 H191 9H7 76  
9H7 H192 H23 H 0 0 N N N -17.602 -22.265 16.151 -17.602 -22.265 16.151 H192 9H7 77  
9H7 H331 H24 H 0 0 N N N -8.749  -21.272 18.177 -8.749  -21.272 18.177 H331 9H7 78  
9H7 H342 H25 H 0 0 N N N -6.546  -21.570 15.896 -6.545  -21.570 15.896 H342 9H7 79  
9H7 H341 H26 H 0 0 N N N -6.577  -20.240 17.103 -6.577  -20.240 17.103 H341 9H7 80  
9H7 H351 H27 H 0 0 N N N -6.374  -22.004 19.052 -6.374  -22.004 19.052 H351 9H7 81  
9H7 H352 H28 H 0 0 N N N -6.342  -23.334 17.845 -6.342  -23.334 17.845 H352 9H7 82  
9H7 H412 H29 H 0 0 N N N -19.742 -16.357 15.159 -19.742 -16.357 15.159 H412 9H7 83  
9H7 H413 H30 H 0 0 N N N -21.030 -15.604 14.159 -21.030 -15.604 14.159 H413 9H7 84  
9H7 H411 H31 H 0 0 N N N -21.294 -17.222 14.894 -21.294 -17.222 14.894 H411 9H7 85  
9H7 H422 H32 H 0 0 N N N -20.720 -17.966 11.265 -20.720 -17.966 11.265 H422 9H7 86  
9H7 H423 H33 H 0 0 N N N -21.860 -18.153 12.641 -21.860 -18.153 12.641 H423 9H7 87  
9H7 H421 H34 H 0 0 N N N -21.596 -16.535 11.906 -21.596 -16.535 11.906 H421 9H7 88  
9H7 H433 H35 H 0 0 N N N -18.497 -16.802 11.603 -18.497 -16.802 11.604 H433 9H7 89  
9H7 H432 H36 H 0 0 N N N -19.373 -15.355 12.208 -19.374 -15.355 12.208 H432 9H7 90  
9H7 H431 H37 H 0 0 N N N -18.084 -16.107 13.207 -18.084 -16.107 13.207 H431 9H7 91  
9H7 H461 H38 H 0 0 N N N -10.600 -14.479 19.480 -10.600 -14.479 19.480 H461 9H7 92  
9H7 H471 H39 H 0 0 N N N -9.001  -12.415 19.696 -9.001  -12.415 19.696 H471 9H7 93  
9H7 H481 H40 H 0 0 N N N -8.903  -10.630 17.783 -8.903  -10.630 17.783 H481 9H7 94  
9H7 H491 H41 H 0 0 N N N -10.386 -10.905 15.646 -10.386 -10.905 15.646 H491 9H7 95  
9H7 H521 H42 H 0 0 N N N -15.466 -13.139 10.724 -15.466 -13.139 10.724 H521 9H7 96  
9H7 H241 H44 H 0 0 N N N -12.385 -20.584 13.606 -12.385 -20.584 13.606 H241 9H7 97  
9H7 H1   H45 H 0 1 N N N -10.595 -21.421 15.997 -10.595 -21.421 15.997 H1   9H7 98  
9H7 H361 H46 H 0 0 N N N -18.798 -20.735 14.818 -18.798 -20.735 14.818 H361 9H7 99  
9H7 H541 H47 H 0 0 N N N -16.082 -15.741 11.257 -16.082 -15.741 11.257 H541 9H7 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 
9H7 C10 C09  SING N N 1   
9H7 C10 C11  DOUB Y N 2   
9H7 C10 N51  SING Y N 3   
9H7 C13 C01  SING N N 4   
9H7 C13 C14  SING N N 5   
9H7 C13 O12  SING N N 6   
9H7 C15 C14  SING N N 7   
9H7 C15 C25  SING N N 8   
9H7 C15 N16  SING N N 9   
9H7 C17 C02  SING N N 10  
9H7 C17 N16  SING N N 11  
9H7 C17 O18  DOUB N N 12  
9H7 C20 C03  SING N N 13  
9H7 C20 C04  SING N N 14  
9H7 C21 C22  SING N N 15  
9H7 C21 C04  SING N N 16  
9H7 C22 C05  DOUB N Z 17  
9H7 C01 N16  SING N N 18  
9H7 C02 C19  SING N N 19  
9H7 C02 N36  SING N N 20  
9H7 C03 C19  SING N N 21  
9H7 C05 C06  SING N N 22  
9H7 C06 C07  SING N N 23  
9H7 C06 C23  SING N N 24  
9H7 C07 C23  SING N N 25  
9H7 C08 C09  DOUB Y N 26  
9H7 C08 C52  SING Y N 27  
9H7 C09 S53  SING Y N 28  
9H7 C11 N44  SING Y N 29  
9H7 C11 O12  SING N N 30  
9H7 C23 C27  SING N N 31  
9H7 C23 N24  SING N N 32  
9H7 C25 N24  SING N N 33  
9H7 C25 O26  DOUB N N 34  
9H7 C27 N29  SING N N 35  
9H7 C27 O28  DOUB N N 36  
9H7 C33 C34  SING N N 37  
9H7 C33 C35  SING N N 38  
9H7 C33 S30  SING N N 39  
9H7 C34 C35  SING N N 40  
9H7 C37 N36  SING N N 41  
9H7 C37 O38  DOUB N N 42  
9H7 C37 O39  SING N N 43  
9H7 C40 C41  SING N N 44  
9H7 C40 C42  SING N N 45  
9H7 C40 C43  SING N N 46  
9H7 C40 O39  SING N N 47  
9H7 C45 C46  SING Y N 48  
9H7 C45 C50  SING Y N 49  
9H7 C45 N44  DOUB Y N 50  
9H7 C46 C47  DOUB Y N 51  
9H7 C47 C48  SING Y N 52  
9H7 C48 C49  DOUB Y N 53  
9H7 C49 C50  SING Y N 54  
9H7 C50 N51  DOUB Y N 55  
9H7 C52 C54  DOUB Y N 56  
9H7 C54 S53  SING Y N 57  
9H7 N29 S30  SING N N 58  
9H7 O31 S30  DOUB N N 59  
9H7 O32 S30  DOUB N N 60  
9H7 C13 H131 SING N N 61  
9H7 C15 H151 SING N N 62  
9H7 C20 H202 SING N N 63  
9H7 C20 H201 SING N N 64  
9H7 C21 H211 SING N N 65  
9H7 C21 H212 SING N N 66  
9H7 C22 H221 SING N N 67  
9H7 C01 H012 SING N N 68  
9H7 C01 H011 SING N N 69  
9H7 C02 H021 SING N N 70  
9H7 C03 H031 SING N N 71  
9H7 C03 H032 SING N N 72  
9H7 C04 H041 SING N N 73  
9H7 C04 H042 SING N N 74  
9H7 C05 H051 SING N N 75  
9H7 C06 H061 SING N N 76  
9H7 C07 H072 SING N N 77  
9H7 C07 H071 SING N N 78  
9H7 C08 H081 SING N N 79  
9H7 C14 H141 SING N N 80  
9H7 C14 H142 SING N N 81  
9H7 C19 H191 SING N N 82  
9H7 C19 H192 SING N N 83  
9H7 C33 H331 SING N N 84  
9H7 C34 H342 SING N N 85  
9H7 C34 H341 SING N N 86  
9H7 C35 H351 SING N N 87  
9H7 C35 H352 SING N N 88  
9H7 C41 H412 SING N N 89  
9H7 C41 H413 SING N N 90  
9H7 C41 H411 SING N N 91  
9H7 C42 H422 SING N N 92  
9H7 C42 H423 SING N N 93  
9H7 C42 H421 SING N N 94  
9H7 C43 H433 SING N N 95  
9H7 C43 H432 SING N N 96  
9H7 C43 H431 SING N N 97  
9H7 C46 H461 SING N N 98  
9H7 C47 H471 SING N N 99  
9H7 C48 H481 SING N N 100 
9H7 C49 H491 SING N N 101 
9H7 C52 H521 SING N N 102 
9H7 C54 H541 SING N N 103 
9H7 N24 H241 SING N N 104 
9H7 N29 H1   SING N N 105 
9H7 N36 H361 SING N N 106 
# 
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 
9H7 SMILES           ACDLabs              12.01 "c3(c1cccs1)c(nc2ccccc2n3)OC4CN5C(C4)C(NC6(C(C=CCCCCCC(C5=O)NC(=O)OC(C)(C)C)C6)C(NS(C7CC7)(=O)=O)=O)=O" 
9H7 InChI            InChI                1.03  
;InChI=1S/C38H46N6O8S2/c1-37(2,3)52-36(48)41-28-15-8-6-4-5-7-12-23-21-38(23,35(47)43-54(49,50)25-17-18-25)42-32(45)29-20-24(22-44(29)34(28)46)51-33-31(30-16-11-19-53-30)39-26-13-9-10-14-27(26)40-33/h7,9-14,16,19,23-25,28-29H,4-6,8,15,17-18,20-22H2,1-3H3,(H,41,48)(H,42,45)(H,43,47)/b12-7-/t23-,24-,28+,29+,38-/m1/s1
;
9H7 InChIKey         InChI                1.03  XPJKLRKWYFSTBR-LZFWIHPHSA-N 
9H7 SMILES_CANONICAL CACTVS               3.385 "CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4nc5ccccc5nc4c6sccc6)C(=O)N[S](=O)(=O)C7CC7" 
9H7 SMILES           CACTVS               3.385 "CC(C)(C)OC(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C1=O)Oc4nc5ccccc5nc4c6sccc6)C(=O)N[S](=O)(=O)C7CC7" 
9H7 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7" 
9H7 SMILES           "OpenEye OEToolkits" 2.0.6 "CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7" 
# 
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 
9H7 "SYSTEMATIC NAME" ACDLabs              12.01 
"tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate" 
9H7 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 
"~{tert}-butyl ~{N}-[(1~{S},4~{R},6~{S},7~{Z},14~{S},18~{R})-4-(cyclopropylsulfonylcarbamoyl)-2,15-bis(oxidanylidene)-18-(3-thiophen-2-ylquinoxalin-2-yl)oxy-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate" 
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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 
9H7 "Create component" 2017-05-11 RCSB 
9H7 "Initial release"  2017-06-21 RCSB 
# 
