data_NNA # _chem_comp.id NNA _chem_comp.name "(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C36 H63 N5 O7 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "Narlaprevir, bound form" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-03-09 _chem_comp.pdbx_modified_date 2021-04-06 _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 709.980 _chem_comp.one_letter_code ? _chem_comp.three_letter_code NNA _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 3LON _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 NNA C1 C1 C 0 1 N N N 192.090 -10.280 48.640 3.193 -0.854 -0.157 C1 NNA 1 NNA O2 O2 O 0 1 N N N 192.613 -11.329 49.038 3.246 -1.275 0.983 O2 NNA 2 NNA N3 N3 N 0 1 N N N 190.773 -10.087 48.622 4.272 -0.942 -0.959 N3 NNA 3 NNA C4 C4 C 0 1 N N N 189.728 -11.023 49.055 5.539 -1.451 -0.429 C4 NNA 4 NNA C5 C5 C 0 1 N N N 190.076 -11.879 50.331 5.329 -2.858 0.133 C5 NNA 5 NNA C6 C6 C 0 1 N N N 188.420 -10.199 49.356 6.579 -1.499 -1.550 C6 NNA 6 NNA C7 C7 C 0 1 N N N 190.198 -10.954 51.546 4.834 -3.783 -0.981 C7 NNA 7 NNA C8 C8 C 0 1 N N N 188.642 -9.251 50.560 6.084 -2.424 -2.664 C8 NNA 8 NNA C9 C9 C 0 1 N N N 188.959 -10.098 51.785 5.874 -3.832 -2.102 C9 NNA 9 NNA C10 C10 C 0 1 N N N 189.459 -11.969 47.888 6.033 -0.526 0.685 C10 NNA 10 NNA S11 S11 S 0 1 N N N 188.926 -11.241 46.301 6.283 1.143 0.019 S11 NNA 11 NNA O12 O12 O 0 1 N N N 189.748 -10.080 46.096 7.340 1.099 -0.929 O12 NNA 12 NNA O13 O13 O 0 1 N N N 187.520 -11.030 46.437 5.021 1.667 -0.372 O13 NNA 13 NNA C14 C14 C 0 1 N N N 189.270 -12.454 45.040 6.856 2.049 1.483 C14 NNA 14 NNA C15 C15 C 0 1 N N N 190.807 -12.671 44.912 8.146 1.411 2.004 C15 NNA 15 NNA C16 C16 C 0 1 N N N 188.696 -12.021 43.663 7.124 3.507 1.107 C16 NNA 16 NNA C17 C17 C 0 1 N N N 188.612 -13.774 45.468 5.783 1.991 2.572 C17 NNA 17 NNA N18 N18 N 0 1 N N N 192.803 -9.259 48.180 2.053 -0.302 -0.618 N18 NNA 18 NNA C19 C19 C 0 1 N N S 194.258 -9.299 48.142 0.912 -0.116 0.281 C19 NNA 19 NNA C20 C20 C 0 1 N N N 194.836 -8.741 46.781 0.998 1.263 0.937 C20 NNA 20 NNA C21 C21 C 0 1 N N N 196.393 -8.687 46.901 1.015 2.343 -0.147 C21 NNA 21 NNA C22 C22 C 0 1 N N N 194.425 -9.687 45.601 -0.214 1.473 1.846 C22 NNA 22 NNA C23 C23 C 0 1 N N N 194.247 -7.324 46.450 2.280 1.355 1.767 C23 NNA 23 NNA C24 C24 C 0 1 N N N 194.796 -8.526 49.343 -0.370 -0.220 -0.505 C24 NNA 24 NNA O25 O25 O 0 1 N N N 194.563 -7.320 49.465 -0.388 0.087 -1.678 O25 NNA 25 NNA N26 N26 N 0 1 N N N 195.457 -9.226 50.282 -1.496 -0.654 0.096 N26 NNA 26 NNA C27 C27 C 0 1 N N N 195.736 -10.671 50.296 -1.692 -0.988 1.526 C27 NNA 27 NNA C28 C28 C 0 1 N N S 196.005 -8.561 51.467 -2.819 -0.899 -0.523 C28 NNA 28 NNA C29 C29 C 0 1 N N R 196.485 -9.654 52.348 -3.335 -2.186 0.157 C29 NNA 29 NNA C30 C30 C 0 1 N N S 196.176 -10.966 51.711 -2.589 -2.244 1.513 C30 NNA 30 NNA C31 C31 C 0 1 N N N 195.497 -10.606 53.028 -2.332 -3.307 0.434 C31 NNA 31 NNA C32 C32 C 0 1 N N N 195.957 -11.248 54.297 -2.891 -4.710 0.678 C32 NNA 32 NNA C33 C33 C 0 1 N N N 194.015 -10.387 52.940 -0.991 -3.252 -0.302 C33 NNA 33 NNA C34 C34 C 0 1 N N N 197.055 -7.525 51.089 -3.751 0.252 -0.245 C34 NNA 34 NNA O35 O35 O 0 1 N N N 198.117 -7.862 50.551 -3.509 1.024 0.658 O35 NNA 35 NNA N36 N36 N 0 1 N N N 196.736 -6.261 51.354 -4.853 0.424 -1.001 N36 NNA 36 NNA C37 C37 C 0 1 N N S 197.634 -5.156 51.033 -5.759 1.543 -0.731 C37 NNA 37 NNA C38 C38 C 0 1 N N N 196.863 -4.051 50.292 -5.251 2.796 -1.448 C38 NNA 38 NNA C39 C39 C 0 1 N N N 196.905 -4.195 48.786 -3.904 3.212 -0.854 C39 NNA 39 NNA C40 C40 C 0 1 N N N 195.527 -4.100 48.199 -3.395 4.464 -1.571 C40 NNA 40 NNA C41 C41 C 0 1 N N N 195.704 -3.618 46.781 -2.049 4.881 -0.976 C41 NNA 41 NNA O42 O42 O 0 1 N N N 198.963 -5.728 52.993 -7.112 0.955 -2.646 O42 NNA 42 NNA C43 C43 C 0 1 N N R 198.394 -4.588 52.265 -7.161 1.199 -1.238 C43 NNA 43 NNA O44 O44 O 0 1 N N N 199.348 -2.716 51.142 -7.862 -1.053 -1.159 O44 NNA 44 NNA N45 N45 N 0 1 N N N 200.823 -4.294 51.747 -7.887 -0.005 0.796 N45 NNA 45 NNA C46 C46 C 0 1 N N N 201.597 -4.628 50.554 -8.374 -1.204 1.483 C46 NNA 46 NNA C47 C47 C 0 1 N N N 202.893 -3.927 50.328 -9.152 -1.006 2.786 C47 NNA 47 NNA C48 C48 C 0 1 N N N 201.741 -3.663 49.426 -7.727 -1.563 2.822 C48 NNA 48 NNA C49 C49 C 0 1 N N N 199.592 -3.796 51.672 -7.662 -0.034 -0.532 C49 NNA 49 NNA HN3 HN3 H 0 1 N N N 190.460 -9.204 48.274 4.209 -0.670 -1.888 HN3 NNA 50 NNA H5 H5 H 0 1 N N N 189.278 -12.615 50.508 6.272 -3.237 0.528 H5 NNA 51 NNA H5A H5A H 0 1 N N N 191.029 -12.404 50.172 4.588 -2.824 0.932 H5A NNA 52 NNA H6 H6 H 0 1 N N N 188.158 -9.602 48.470 6.728 -0.496 -1.950 H6 NNA 53 NNA H6A H6A H 0 1 N N N 187.601 -10.895 49.591 7.522 -1.878 -1.156 H6A NNA 54 NNA H7 H7 H 0 1 N N N 190.360 -11.578 52.437 4.685 -4.786 -0.581 H7 NNA 55 NNA H7A H7A H 0 1 N N N 191.052 -10.281 51.380 3.891 -3.405 -1.376 H7A NNA 56 NNA H8 H8 H 0 1 N N N 189.480 -8.570 50.350 5.141 -2.046 -3.059 H8 NNA 57 NNA H8A H8A H 0 1 N N N 187.733 -8.658 50.741 6.825 -2.459 -3.463 H8A NNA 58 NNA H9 H9 H 0 1 N N N 188.104 -10.756 51.997 6.817 -4.210 -1.708 H9 NNA 59 NNA H9A H9A H 0 1 N N N 189.142 -9.434 52.643 5.522 -4.491 -2.896 H9A NNA 60 NNA H10 H10 H 0 1 N N N 190.400 -12.504 47.691 5.293 -0.491 1.484 H10 NNA 61 NNA H10A H10A H 0 0 N N N 188.656 -12.649 48.210 6.976 -0.904 1.080 H10A NNA 62 NNA H15 H15 H 0 1 N N N 191.008 -13.420 44.132 8.911 1.453 1.228 H15 NNA 63 NNA H15A H15A H 0 0 N N N 191.290 -11.721 44.640 8.490 1.956 2.883 H15A NNA 64 NNA H15B H15B H 0 0 N N N 191.208 -13.025 45.873 7.955 0.372 2.271 H15B NNA 65 NNA H16 H16 H 0 1 N N N 188.926 -12.790 42.911 6.205 3.961 0.736 H16 NNA 66 NNA H16A H16A H 0 0 N N N 187.606 -11.900 43.742 7.468 4.052 1.987 H16A NNA 67 NNA H16B H16B H 0 0 N N N 189.150 -11.066 43.361 7.889 3.549 0.332 H16B NNA 68 NNA H17 H17 H 0 1 N N N 188.807 -14.545 44.708 5.592 0.951 2.839 H17 NNA 69 NNA H17A H17A H 0 0 N N N 189.031 -14.096 46.433 6.127 2.535 3.451 H17A NNA 70 NNA H17B H17B H 0 0 N N N 187.527 -13.626 45.570 4.864 2.445 2.200 H17B NNA 71 NNA HN18 HN18 H 0 0 N N N 192.329 -8.442 47.851 1.988 -0.028 -1.547 HN18 NNA 72 NNA H19 H19 H 0 1 N N N 194.590 -10.346 48.199 0.928 -0.887 1.052 H19 NNA 73 NNA H21 H21 H 0 1 N N N 196.820 -8.301 45.964 0.101 2.278 -0.739 H21 NNA 74 NNA H21A H21A H 0 0 N N N 196.674 -8.024 47.732 1.076 3.326 0.319 H21A NNA 75 NNA H21B H21B H 0 0 N N N 196.781 -9.698 47.091 1.878 2.194 -0.795 H21B NNA 76 NNA H22 H22 H 0 1 N N N 194.830 -9.294 44.657 -0.207 0.725 2.640 H22 NNA 77 NNA H22A H22A H 0 0 N N N 194.828 -10.694 45.781 -0.171 2.469 2.285 H22A NNA 78 NNA H22B H22B H 0 0 N N N 193.328 -9.737 45.537 -1.129 1.372 1.262 H22B NNA 79 NNA H23 H23 H 0 1 N N N 194.668 -6.964 45.499 3.145 1.305 1.105 H23 NNA 80 NNA H23A H23A H 0 0 N N N 193.153 -7.393 46.363 2.293 2.298 2.313 H23A NNA 81 NNA H23B H23B H 0 0 N N N 194.508 -6.622 47.255 2.315 0.525 2.473 H23B NNA 82 NNA H27 H27 H 0 1 N N N 194.838 -11.249 50.033 -0.736 -1.208 1.999 H27 NNA 83 NNA H27A H27A H 0 0 N N N 196.526 -10.928 49.575 -2.193 -0.168 2.042 H27A NNA 84 NNA H28 H28 H 0 1 N N N 195.257 -7.964 52.009 -2.714 -1.054 -1.597 H28 NNA 85 NNA H29 H29 H 0 1 N N N 197.338 -9.099 52.766 -4.399 -2.408 0.077 H29 NNA 86 NNA H30 H30 H 0 1 N N N 196.575 -11.955 51.444 -3.100 -2.510 2.438 H30 NNA 87 NNA H32 H32 H 0 1 N N N 195.164 -11.904 54.685 -3.453 -5.035 -0.198 H32 NNA 88 NNA H32A H32A H 0 0 N N N 196.861 -11.843 54.100 -2.070 -5.402 0.861 H32A NNA 89 NNA H32B H32B H 0 0 N N N 196.185 -10.469 55.040 -3.551 -4.692 1.546 H32B NNA 90 NNA H33 H33 H 0 1 N N N 193.493 -11.181 53.495 -0.472 -2.329 -0.042 H33 NNA 91 NNA H33A H33A H 0 0 N N N 193.763 -9.409 53.375 -0.381 -4.107 -0.010 H33A NNA 92 NNA H33B H33B H 0 0 N N N 193.703 -10.411 51.885 -1.166 -3.280 -1.377 H33B NNA 93 NNA HN36 HN36 H 0 0 N N N 195.856 -6.062 51.785 -5.047 -0.193 -1.724 HN36 NNA 94 NNA H37 H37 H 0 1 N N N 198.415 -5.562 50.373 -5.797 1.730 0.342 H37 NNA 95 NNA H38 H38 H 0 1 N N N 195.811 -4.093 50.612 -5.128 2.582 -2.510 H38 NNA 96 NNA H38A H38A H 0 0 N N N 197.312 -3.082 50.557 -5.970 3.605 -1.321 H38A NNA 97 NNA H39 H39 H 0 1 N N N 197.528 -3.391 48.367 -4.026 3.426 0.208 H39 NNA 98 NNA H39A H39A H 0 0 N N N 197.335 -5.175 48.532 -3.185 2.403 -0.981 H39A NNA 99 NNA H40 H40 H 0 1 N N N 195.032 -5.082 48.214 -3.273 4.251 -2.633 H40 NNA 100 NNA H40A H40A H 0 0 N N N 194.911 -3.393 48.773 -4.115 5.273 -1.444 H40A NNA 101 NNA H41 H41 H 0 1 N N N 194.720 -3.529 46.298 -2.171 5.095 0.086 H41 NNA 102 NNA H41A H41A H 0 0 N N N 196.200 -2.636 46.787 -1.329 4.072 -1.104 H41A NNA 103 NNA H41B H41B H 0 0 N N N 196.322 -4.337 46.224 -1.686 5.773 -1.487 H41B NNA 104 NNA HO42 HO42 H 0 0 N N N 199.436 -5.414 53.755 -6.529 0.225 -2.898 HO42 NNA 105 NNA H43 H43 H 0 1 N N N 197.750 -3.980 52.917 -7.835 2.032 -1.038 H43 NNA 106 NNA HN45 HN45 H 0 0 N N N 201.231 -4.444 52.647 -7.727 0.809 1.298 HN45 NNA 107 NNA H46 H46 H 0 1 N N N 201.259 -5.672 50.625 -8.680 -2.026 0.835 H46 NNA 108 NNA H47 H47 H 0 1 N N N 203.467 -3.250 50.978 -9.301 0.017 3.132 H47 NNA 109 NNA H47A H47A H 0 0 N N N 203.897 -4.323 50.115 -9.968 -1.697 2.995 H47A NNA 110 NNA H48 H48 H 0 1 N N N 201.630 -3.803 48.341 -7.607 -2.621 3.055 H48 NNA 111 NNA H48A H48A H 0 0 N N N 201.201 -2.731 49.203 -6.939 -0.907 3.192 H48A NNA 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 NNA C1 O2 DOUB N N 1 NNA C1 N3 SING N N 2 NNA C1 N18 SING N N 3 NNA N3 C4 SING N N 4 NNA C4 C5 SING N N 5 NNA C4 C6 SING N N 6 NNA C4 C10 SING N N 7 NNA C5 C7 SING N N 8 NNA C6 C8 SING N N 9 NNA C7 C9 SING N N 10 NNA C8 C9 SING N N 11 NNA C10 S11 SING N N 12 NNA S11 O12 DOUB N N 13 NNA S11 O13 DOUB N N 14 NNA S11 C14 SING N N 15 NNA C14 C15 SING N N 16 NNA C14 C16 SING N N 17 NNA C14 C17 SING N N 18 NNA N18 C19 SING N N 19 NNA C19 C20 SING N N 20 NNA C19 C24 SING N N 21 NNA C20 C21 SING N N 22 NNA C20 C22 SING N N 23 NNA C20 C23 SING N N 24 NNA C24 O25 DOUB N N 25 NNA C24 N26 SING N N 26 NNA N26 C27 SING N N 27 NNA N26 C28 SING N N 28 NNA C27 C30 SING N N 29 NNA C28 C29 SING N N 30 NNA C28 C34 SING N N 31 NNA C29 C30 SING N N 32 NNA C29 C31 SING N N 33 NNA C30 C31 SING N N 34 NNA C31 C32 SING N N 35 NNA C31 C33 SING N N 36 NNA C34 O35 DOUB N N 37 NNA C34 N36 SING N N 38 NNA N36 C37 SING N N 39 NNA C37 C38 SING N N 40 NNA C37 C43 SING N N 41 NNA C38 C39 SING N N 42 NNA C39 C40 SING N N 43 NNA C40 C41 SING N N 44 NNA O42 C43 SING N N 45 NNA C43 C49 SING N N 46 NNA O44 C49 DOUB N N 47 NNA N45 C46 SING N N 48 NNA N45 C49 SING N N 49 NNA C46 C47 SING N N 50 NNA C46 C48 SING N N 51 NNA C47 C48 SING N N 52 NNA N3 HN3 SING N N 53 NNA C5 H5 SING N N 54 NNA C5 H5A SING N N 55 NNA C6 H6 SING N N 56 NNA C6 H6A SING N N 57 NNA C7 H7 SING N N 58 NNA C7 H7A SING N N 59 NNA C8 H8 SING N N 60 NNA C8 H8A SING N N 61 NNA C9 H9 SING N N 62 NNA C9 H9A SING N N 63 NNA C10 H10 SING N N 64 NNA C10 H10A SING N N 65 NNA C15 H15 SING N N 66 NNA C15 H15A SING N N 67 NNA C15 H15B SING N N 68 NNA C16 H16 SING N N 69 NNA C16 H16A SING N N 70 NNA C16 H16B SING N N 71 NNA C17 H17 SING N N 72 NNA C17 H17A SING N N 73 NNA C17 H17B SING N N 74 NNA N18 HN18 SING N N 75 NNA C19 H19 SING N N 76 NNA C21 H21 SING N N 77 NNA C21 H21A SING N N 78 NNA C21 H21B SING N N 79 NNA C22 H22 SING N N 80 NNA C22 H22A SING N N 81 NNA C22 H22B SING N N 82 NNA C23 H23 SING N N 83 NNA C23 H23A SING N N 84 NNA C23 H23B SING N N 85 NNA C27 H27 SING N N 86 NNA C27 H27A SING N N 87 NNA C28 H28 SING N N 88 NNA C29 H29 SING N N 89 NNA C30 H30 SING N N 90 NNA C32 H32 SING N N 91 NNA C32 H32A SING N N 92 NNA C32 H32B SING N N 93 NNA C33 H33 SING N N 94 NNA C33 H33A SING N N 95 NNA C33 H33B SING N N 96 NNA N36 HN36 SING N N 97 NNA C37 H37 SING N N 98 NNA C38 H38 SING N N 99 NNA C38 H38A SING N N 100 NNA C39 H39 SING N N 101 NNA C39 H39A SING N N 102 NNA C40 H40 SING N N 103 NNA C40 H40A SING N N 104 NNA C41 H41 SING N N 105 NNA C41 H41A SING N N 106 NNA C41 H41B SING N N 107 NNA O42 HO42 SING N N 108 NNA C43 H43 SING N N 109 NNA N45 HN45 SING N N 110 NNA C46 H46 SING N N 111 NNA C47 H47 SING N N 112 NNA C47 H47A SING N N 113 NNA C48 H48 SING N N 114 NNA C48 H48A SING N N 115 # # 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 NNA SMILES ACDLabs 12.01 "O=C(N3C(C(=O)NC(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(C)C" NNA SMILES_CANONICAL CACTVS 3.370 "CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC3(CCCCC3)C[S](=O)(=O)C(C)(C)C)C(C)(C)C)C2(C)C)[C@@H](O)C(=O)NC4CC4" NNA SMILES CACTVS 3.370 "CCCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)NC3(CCCCC3)C[S](=O)(=O)C(C)(C)C)C(C)(C)C)C2(C)C)[CH](O)C(=O)NC4CC4" NNA SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C" NNA SMILES "OpenEye OEToolkits" 1.7.0 "CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C" NNA InChI InChI 1.03 "InChI=1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27+,28+/m0/s1" NNA InChIKey InChI 1.03 BZXRATSZUNDEEV-FZFXNXQRSA-N # # 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 NNA "SYSTEMATIC NAME" ACDLabs 12.01 "(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide" NNA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxo-heptan-3-yl]-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 NNA "Create component" 2010-03-09 RCSB NNA "Modify descriptor" 2011-06-04 RCSB NNA "Modify synonyms" 2020-06-05 PDBE NNA "Modify synonyms" 2021-04-06 RCSB # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id NNA _pdbx_chem_comp_synonyms.name "Narlaprevir, bound form" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##