data_PI8 # _chem_comp.id PI8 _chem_comp.name "N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H54 N4 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-10-07 _chem_comp.pdbx_modified_date 2021-03-01 _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 698.891 _chem_comp.one_letter_code ? _chem_comp.three_letter_code PI8 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1D4K _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 PI8 N1 N1 N 0 1 N N N 4.601 2.026 12.062 -0.286 -0.034 -5.850 N1 PI8 1 PI8 C2 C2 C 0 1 N N S 3.532 1.946 11.050 0.177 0.452 -7.152 C2 PI8 2 PI8 C1 C1 C 0 1 N N R 3.453 3.326 10.442 -0.237 -0.527 -8.269 C1 PI8 3 PI8 O1 O1 O 0 1 N N N 3.769 4.311 11.431 -0.375 -1.854 -7.756 O1 PI8 4 PI8 C9 C9 C 0 1 N N N 2.044 3.496 10.013 0.952 -0.435 -9.248 C9 PI8 5 PI8 C3 C3 C 0 1 Y N N 2.140 1.692 11.535 1.689 0.486 -7.191 C3 PI8 6 PI8 C8 C8 C 0 1 Y N N 1.275 2.587 10.931 2.135 -0.026 -8.397 C8 PI8 7 PI8 C4 C4 C 0 1 Y N N 1.665 0.748 12.432 2.604 0.924 -6.250 C4 PI8 8 PI8 C7 C7 C 0 1 Y N N -0.080 2.552 11.214 3.494 -0.094 -8.656 C7 PI8 9 PI8 C5 C5 C 0 1 Y N N 0.306 0.699 12.728 3.958 0.855 -6.510 C5 PI8 10 PI8 C6 C6 C 0 1 Y N N -0.572 1.607 12.116 4.404 0.344 -7.715 C6 PI8 11 PI8 C11 C11 C 0 1 N N R 6.391 1.167 13.471 -0.914 0.332 -3.486 C11 PI8 12 PI8 C12 C12 C 0 1 N N N 7.743 1.292 12.774 -2.433 0.394 -3.316 C12 PI8 13 PI8 C13 C13 C 0 1 Y N N 7.738 2.240 11.618 -3.089 -0.517 -4.320 C13 PI8 14 PI8 C18 C18 C 0 1 Y N N 7.723 1.762 10.313 -3.226 -1.865 -4.044 C18 PI8 15 PI8 C14 C14 C 0 1 Y N N 7.728 3.613 11.833 -3.559 -0.005 -5.515 C14 PI8 16 PI8 C17 C17 C 0 1 Y N N 7.696 2.640 9.239 -3.827 -2.701 -4.965 C17 PI8 17 PI8 C15 C15 C 0 1 Y N N 7.701 4.499 10.767 -4.157 -0.843 -6.438 C15 PI8 18 PI8 C16 C16 C 0 1 Y N N 7.684 4.014 9.467 -4.293 -2.191 -6.163 C16 PI8 19 PI8 C10 C10 C 0 1 N N N 5.285 0.946 12.429 -0.540 0.838 -4.855 C10 PI8 20 PI8 O2 O2 O 0 1 N N N 5.057 -0.181 11.977 -0.468 2.031 -5.062 O2 PI8 21 PI8 C19 C19 C 0 1 N N N 6.445 -0.018 14.421 -0.245 1.202 -2.420 C19 PI8 22 PI8 O3 O3 O 0 1 N N N 5.281 0.339 16.506 -1.837 0.599 -0.705 O3 PI8 23 PI8 C20 C20 C 0 1 N N S 5.187 -0.292 15.223 -0.449 0.569 -1.043 C20 PI8 24 PI8 C21 C21 C 0 1 N N N 5.096 -1.790 15.393 0.347 1.353 0.001 C21 PI8 25 PI8 N2 N2 N 0 1 N N N 3.915 -2.148 16.170 0.152 0.745 1.324 N2 PI8 26 PI8 C22 C22 C 0 1 N N S 4.058 -3.482 16.762 1.011 1.483 2.259 C22 PI8 27 PI8 C23 C23 C 0 1 N N N 2.716 -4.219 16.707 0.286 2.731 2.755 C23 PI8 28 PI8 C24 C24 C 0 1 Y N N 2.830 -5.692 16.995 -0.635 2.394 3.896 C24 PI8 29 PI8 C25 C25 C 0 1 Y N N 2.898 -6.160 18.305 -1.759 1.617 3.687 C25 PI8 30 PI8 C26 C26 C 0 1 Y N N 3.065 -7.515 18.575 -2.593 1.305 4.743 C26 PI8 31 PI8 C29 C29 C 0 1 Y N N 2.924 -6.616 15.955 -0.358 2.878 5.164 C29 PI8 32 PI8 C28 C28 C 0 1 Y N N 3.093 -7.970 16.212 -1.192 2.572 6.221 C28 PI8 33 PI8 C27 C27 C 0 1 Y N N 3.164 -8.418 17.524 -2.310 1.777 6.015 C27 PI8 34 PI8 O6 O6 O 0 1 N N N 3.352 -9.770 17.750 -3.125 1.461 7.055 O6 PI8 35 PI8 C30 C30 C 0 1 N N N 5.173 -4.383 16.200 1.401 0.597 3.416 C30 PI8 36 PI8 O4 O4 O 0 1 N N N 5.248 -4.621 14.994 1.514 1.076 4.524 O4 PI8 37 PI8 N3 N3 N 0 1 N N N 6.083 -4.800 17.079 1.642 -0.720 3.180 N3 PI8 38 PI8 C31 C31 C 0 1 N N S 7.166 -5.745 16.733 2.279 -1.536 4.224 C31 PI8 39 PI8 C32 C32 C 0 1 N N S 8.486 -5.029 16.337 3.617 -0.932 4.647 C32 PI8 40 PI8 C33 C33 C 0 1 N N N 9.181 -5.810 15.217 4.292 -1.851 5.668 C33 PI8 41 PI8 C34 C34 C 0 1 N N N 8.217 -3.599 15.865 4.519 -0.782 3.421 C34 PI8 42 PI8 C35 C35 C 0 1 N N N 9.394 -2.939 15.229 5.859 -0.177 3.844 C35 PI8 43 PI8 C36 C36 C 0 1 N N N 7.430 -6.595 17.978 1.373 -1.677 5.417 C36 PI8 44 PI8 O5 O5 O 0 1 N N N 7.400 -6.084 19.104 1.130 -0.736 6.140 O5 PI8 45 PI8 N4 N4 N 0 1 N N N 7.645 -7.894 17.779 0.829 -2.903 5.676 N4 PI8 46 PI8 C37 C37 C 0 1 N N N 7.915 -8.864 18.856 0.035 -3.032 6.914 C37 PI8 47 PI8 C38 C38 C 0 1 N N N 7.609 -10.301 18.446 -1.362 -2.458 6.683 C38 PI8 48 PI8 C39 C39 C 0 1 N N N 6.134 -10.503 18.127 -1.902 -1.899 8.002 C39 PI8 49 PI8 C40 C40 C 0 1 N N N 5.248 -10.006 19.257 -2.988 -0.860 7.714 C40 PI8 50 PI8 C41 C41 C 0 1 N N N 3.778 -10.307 18.995 -2.403 0.543 7.880 C41 PI8 51 PI8 HN11 1HN1 H 0 0 N N N 4.885 2.882 12.538 -0.410 -0.985 -5.705 HN11 PI8 52 PI8 H21 1H2 H 0 1 N N N 3.809 1.086 10.395 -0.228 1.445 -7.350 H21 PI8 53 PI8 H11 1H1 H 0 1 N N N 4.167 3.443 9.593 -1.159 -0.201 -8.749 H11 PI8 54 PI8 HO11 1HO1 H 0 0 N N N 3.719 5.179 11.048 -0.715 -2.399 -8.479 HO11 PI8 55 PI8 H91 1H9 H 0 1 N N N 1.689 4.553 10.010 1.137 -1.404 -9.712 H91 PI8 56 PI8 H92 2H9 H 0 1 N N N 1.868 3.308 8.928 0.757 0.318 -10.011 H92 PI8 57 PI8 H41 1H4 H 0 1 N N N 2.364 0.039 12.907 2.256 1.323 -5.308 H41 PI8 58 PI8 H71 1H7 H 0 1 N N N -0.760 3.269 10.725 3.843 -0.493 -9.597 H71 PI8 59 PI8 H51 1H5 H 0 1 N N N -0.071 -0.052 13.441 4.668 1.199 -5.773 H51 PI8 60 PI8 H61 1H6 H 0 1 N N N -1.650 1.577 12.344 5.463 0.289 -7.920 H61 PI8 61 PI8 H111 1H11 H 0 0 N N N 6.167 2.101 14.037 -0.578 -0.699 -3.376 H111 PI8 62 PI8 H121 1H12 H 0 0 N N N 8.538 1.567 13.505 -2.699 0.076 -2.308 H121 PI8 63 PI8 H122 2H12 H 0 0 N N N 8.117 0.290 12.459 -2.775 1.417 -3.476 H122 PI8 64 PI8 H181 1H18 H 0 0 N N N 7.732 0.674 10.127 -2.862 -2.264 -3.109 H181 PI8 65 PI8 H141 1H14 H 0 0 N N N 7.741 4.004 12.863 -3.453 1.047 -5.731 H141 PI8 66 PI8 H171 1H17 H 0 0 N N N 7.684 2.247 8.208 -3.934 -3.754 -4.750 H171 PI8 67 PI8 H151 1H15 H 0 0 N N N 7.693 5.586 10.952 -4.520 -0.444 -7.374 H151 PI8 68 PI8 H161 1H16 H 0 0 N N N 7.661 4.717 8.618 -4.762 -2.844 -6.883 H161 PI8 69 PI8 H191 1H19 H 0 0 N N N 6.743 -0.935 13.862 -0.690 2.197 -2.432 H191 PI8 70 PI8 H192 2H19 H 0 0 N N N 7.315 0.090 15.109 0.821 1.279 -2.631 H192 PI8 71 PI8 HO31 1HO3 H 0 0 N N N 4.493 0.167 17.008 -2.102 1.529 -0.698 HO31 PI8 72 PI8 H201 1H20 H 0 0 N N N 4.284 0.108 14.704 -0.102 -0.464 -1.063 H201 PI8 73 PI8 H211 1H21 H 0 0 N N N 5.122 -2.320 14.412 0.001 2.386 0.022 H211 PI8 74 PI8 H212 2H21 H 0 0 N N N 6.027 -2.213 15.836 1.406 1.330 -0.256 H212 PI8 75 PI8 HN21 1HN2 H 0 0 N N N 3.062 -2.072 15.614 0.520 -0.192 1.269 HN21 PI8 76 PI8 H221 1H22 H 0 0 N N N 4.382 -3.278 17.809 1.922 1.789 1.732 H221 PI8 77 PI8 H231 1H23 H 0 0 N N N 1.973 -3.739 17.387 1.021 3.467 3.090 H231 PI8 78 PI8 H232 2H23 H 0 0 N N N 2.209 -4.045 15.728 -0.295 3.163 1.938 H232 PI8 79 PI8 H251 1H25 H 0 0 N N N 2.818 -5.446 19.142 -1.993 1.258 2.696 H251 PI8 80 PI8 H261 1H26 H 0 0 N N N 3.118 -7.871 19.617 -3.467 0.692 4.575 H261 PI8 81 PI8 H291 1H29 H 0 0 N N N 2.863 -6.269 14.909 0.512 3.496 5.324 H291 PI8 82 PI8 H281 1H28 H 0 0 N N N 3.170 -8.686 15.377 -0.975 2.952 7.208 H281 PI8 83 PI8 HN31 1HN3 H 0 0 N N N 5.951 -4.399 18.007 1.398 -1.128 2.324 HN31 PI8 84 PI8 H311 1H31 H 0 0 N N N 6.844 -6.349 15.853 2.467 -2.540 3.815 H311 PI8 85 PI8 H321 1H32 H 0 0 N N N 9.142 -4.987 17.237 3.448 0.046 5.096 H321 PI8 86 PI8 H331 1H33 H 0 0 N N N 10.128 -5.295 14.932 4.428 -2.840 5.231 H331 PI8 87 PI8 H332 2H33 H 0 0 N N N 9.348 -6.877 15.490 5.262 -1.438 5.943 H332 PI8 88 PI8 H333 3H33 H 0 0 N N N 8.511 -5.971 14.340 3.665 -1.929 6.556 H333 PI8 89 PI8 H341 1H34 H 0 0 N N N 7.336 -3.571 15.182 4.038 -0.127 2.694 H341 PI8 90 PI8 H342 2H34 H 0 0 N N N 7.825 -2.977 16.703 4.688 -1.761 2.972 H342 PI8 91 PI8 H351 1H35 H 0 0 N N N 9.197 -1.896 14.885 6.502 -0.070 2.971 H351 PI8 92 PI8 H352 2H35 H 0 0 N N N 10.274 -2.966 15.912 5.690 0.801 4.293 H352 PI8 93 PI8 H353 3H35 H 0 0 N N N 9.786 -3.560 14.390 6.340 -0.831 4.571 H353 PI8 94 PI8 H41N 1NH4 H 0 0 N N N 7.602 -8.148 16.792 0.964 -3.653 5.075 H41N PI8 95 PI8 H371 1H37 H 0 0 N N N 8.962 -8.768 19.226 0.526 -2.493 7.723 H371 PI8 96 PI8 H372 2H37 H 0 0 N N N 7.367 -8.589 19.787 -0.047 -4.086 7.184 H372 PI8 97 PI8 H381 1H38 H 0 0 N N N 8.254 -10.625 17.596 -2.024 -3.247 6.325 H381 PI8 98 PI8 H382 2H38 H 0 0 N N N 7.958 -11.024 19.218 -1.312 -1.661 5.943 H382 PI8 99 PI8 H391 1H39 H 0 0 N N N 5.858 -10.032 17.154 -1.090 -1.430 8.558 H391 PI8 100 PI8 H392 2H39 H 0 0 N N N 5.913 -11.565 17.872 -2.324 -2.712 8.594 H392 PI8 101 PI8 H401 1H40 H 0 0 N N N 5.577 -10.413 20.241 -3.812 -0.994 8.414 H401 PI8 102 PI8 H402 2H40 H 0 0 N N N 5.411 -8.920 19.454 -3.352 -0.987 6.695 H402 PI8 103 PI8 H411 1H41 H 0 0 N N N 3.133 -9.954 19.833 -1.354 0.534 7.584 H411 PI8 104 PI8 H412 2H41 H 0 0 N N N 3.566 -11.399 19.062 -2.484 0.849 8.922 H412 PI8 105 # # 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 PI8 N1 C2 SING N N 1 PI8 N1 C10 SING N N 2 PI8 N1 HN11 SING N N 3 PI8 C2 C1 SING N N 4 PI8 C2 C3 SING N N 5 PI8 C2 H21 SING N N 6 PI8 C1 O1 SING N N 7 PI8 C1 C9 SING N N 8 PI8 C1 H11 SING N N 9 PI8 O1 HO11 SING N N 10 PI8 C9 C8 SING N N 11 PI8 C9 H91 SING N N 12 PI8 C9 H92 SING N N 13 PI8 C3 C8 DOUB Y N 14 PI8 C3 C4 SING Y N 15 PI8 C8 C7 SING Y N 16 PI8 C4 C5 DOUB Y N 17 PI8 C4 H41 SING N N 18 PI8 C7 C6 DOUB Y N 19 PI8 C7 H71 SING N N 20 PI8 C5 C6 SING Y N 21 PI8 C5 H51 SING N N 22 PI8 C6 H61 SING N N 23 PI8 C11 C12 SING N N 24 PI8 C11 C10 SING N N 25 PI8 C11 C19 SING N N 26 PI8 C11 H111 SING N N 27 PI8 C12 C13 SING N N 28 PI8 C12 H121 SING N N 29 PI8 C12 H122 SING N N 30 PI8 C13 C18 DOUB Y N 31 PI8 C13 C14 SING Y N 32 PI8 C18 C17 SING Y N 33 PI8 C18 H181 SING N N 34 PI8 C14 C15 DOUB Y N 35 PI8 C14 H141 SING N N 36 PI8 C17 C16 DOUB Y N 37 PI8 C17 H171 SING N N 38 PI8 C15 C16 SING Y N 39 PI8 C15 H151 SING N N 40 PI8 C16 H161 SING N N 41 PI8 C10 O2 DOUB N N 42 PI8 C19 C20 SING N N 43 PI8 C19 H191 SING N N 44 PI8 C19 H192 SING N N 45 PI8 O3 C20 SING N N 46 PI8 O3 HO31 SING N N 47 PI8 C20 C21 SING N N 48 PI8 C20 H201 SING N N 49 PI8 C21 N2 SING N N 50 PI8 C21 H211 SING N N 51 PI8 C21 H212 SING N N 52 PI8 N2 C22 SING N N 53 PI8 N2 HN21 SING N N 54 PI8 C22 C23 SING N N 55 PI8 C22 C30 SING N N 56 PI8 C22 H221 SING N N 57 PI8 C23 C24 SING N N 58 PI8 C23 H231 SING N N 59 PI8 C23 H232 SING N N 60 PI8 C24 C25 DOUB Y N 61 PI8 C24 C29 SING Y N 62 PI8 C25 C26 SING Y N 63 PI8 C25 H251 SING N N 64 PI8 C26 C27 DOUB Y N 65 PI8 C26 H261 SING N N 66 PI8 C29 C28 DOUB Y N 67 PI8 C29 H291 SING N N 68 PI8 C28 C27 SING Y N 69 PI8 C28 H281 SING N N 70 PI8 C27 O6 SING N N 71 PI8 O6 C41 SING N N 72 PI8 C30 O4 DOUB N N 73 PI8 C30 N3 SING N N 74 PI8 N3 C31 SING N N 75 PI8 N3 HN31 SING N N 76 PI8 C31 C32 SING N N 77 PI8 C31 C36 SING N N 78 PI8 C31 H311 SING N N 79 PI8 C32 C33 SING N N 80 PI8 C32 C34 SING N N 81 PI8 C32 H321 SING N N 82 PI8 C33 H331 SING N N 83 PI8 C33 H332 SING N N 84 PI8 C33 H333 SING N N 85 PI8 C34 C35 SING N N 86 PI8 C34 H341 SING N N 87 PI8 C34 H342 SING N N 88 PI8 C35 H351 SING N N 89 PI8 C35 H352 SING N N 90 PI8 C35 H353 SING N N 91 PI8 C36 O5 DOUB N N 92 PI8 C36 N4 SING N N 93 PI8 N4 C37 SING N N 94 PI8 N4 H41N SING N N 95 PI8 C37 C38 SING N N 96 PI8 C37 H371 SING N N 97 PI8 C37 H372 SING N N 98 PI8 C38 C39 SING N N 99 PI8 C38 H381 SING N N 100 PI8 C38 H382 SING N N 101 PI8 C39 C40 SING N N 102 PI8 C39 H391 SING N N 103 PI8 C39 H392 SING N N 104 PI8 C40 C41 SING N N 105 PI8 C40 H401 SING N N 106 PI8 C40 H402 SING N N 107 PI8 C41 H411 SING N N 108 PI8 C41 H412 SING N N 109 # # 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 PI8 SMILES ACDLabs 10.04 "O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4)C5)C(C)CC" PI8 SMILES_CANONICAL CACTVS 3.341 "CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCCNC1=O)cc2)NC[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45" PI8 SMILES CACTVS 3.341 "CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCCCNC1=O)cc2)NC[CH](O)C[CH](Cc3ccccc3)C(=O)N[CH]4[CH](O)Cc5ccccc45" PI8 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O" PI8 SMILES "OpenEye OEToolkits" 1.5.0 "CCC(C)C1C(=O)NCCCCCOc2ccc(cc2)CC(C(=O)N1)NCC(CC(Cc3ccccc3)C(=O)NC4c5ccccc5CC4O)O" PI8 InChI InChI 1.03 "InChI=1S/C41H54N4O6/c1-3-27(2)37-41(50)42-20-10-5-11-21-51-33-18-16-29(17-19-33)23-35(40(49)44-37)43-26-32(46)24-31(22-28-12-6-4-7-13-28)39(48)45-38-34-15-9-8-14-30(34)25-36(38)47/h4,6-9,12-19,27,31-32,35-38,43,46-47H,3,5,10-11,20-26H2,1-2H3,(H,42,50)(H,44,49)(H,45,48)/t27-,31+,32-,35-,36+,37-,38-/m0/s1" PI8 InChIKey InChI 1.03 ZXUOAWXMXWTRGE-ZKQACQBYSA-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 PI8 "SYSTEMATIC NAME" ACDLabs 10.04 "(2R,4S)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-{[(10S,13S)-10-[(1S)-1-methylpropyl]-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]amino}pentanamide (non-preferred name)" PI8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R,4S)-5-[[(3S,6S)-6-[(2S)-butan-2-yl]-4,7-dioxo-14-oxa-5,8-diazabicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-3-yl]amino]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(phenylmethyl)pentanamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site PI8 "Create component" 1999-10-07 PDBJ PI8 "Modify descriptor" 2011-06-04 RCSB PI8 "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id PI8 _pdbx_chem_comp_synonyms.name "MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##