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 ? ##