data_5NH # _chem_comp.id 5NH _chem_comp.name "1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H58 N6 O8" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2005-12-23 _chem_comp.pdbx_modified_date 2011-06-04 _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 738.913 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 5NH _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 2F9U _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 5NH C1 C1 C 0 1 N N N 192.385 -10.445 48.962 1.714 -2.560 0.096 C1 5NH 1 5NH O2 O2 O 0 1 N N N 192.901 -11.541 49.198 1.736 -2.069 1.207 O2 5NH 2 5NH O3 O3 O 0 1 N N N 191.116 -10.049 49.068 0.686 -3.348 -0.271 O3 5NH 3 5NH C4 C4 C 0 1 N N N 190.066 -10.901 49.547 -0.446 -3.526 0.620 C4 5NH 4 5NH C5 C5 C 0 1 N N N 190.242 -10.888 51.096 -1.056 -2.162 0.949 C5 5NH 5 5NH C6 C6 C 0 1 N N N 188.760 -10.185 49.129 -1.498 -4.404 -0.062 C6 5NH 6 5NH C7 C7 C 0 1 N N N 190.116 -12.308 48.879 0.021 -4.201 1.911 C7 5NH 7 5NH N8 N8 N 0 1 N N N 193.062 -9.395 48.519 2.719 -2.316 -0.769 N8 5NH 8 5NH C9 C9 C 0 1 N N S 194.510 -9.377 48.416 3.827 -1.443 -0.376 C9 5NH 9 5NH C10 C10 C 0 1 N N N 194.930 -8.754 47.078 5.010 -2.296 0.087 C10 5NH 10 5NH C11 C11 C 0 1 N N N 196.437 -8.479 47.024 4.613 -3.082 1.338 C11 5NH 11 5NH C12 C12 C 0 1 N N N 196.863 -7.857 45.704 5.795 -3.936 1.801 C12 5NH 12 5NH C13 C13 C 0 1 N N N 196.437 -8.734 44.524 6.186 -4.911 0.689 C13 5NH 13 5NH C14 C14 C 0 1 N N N 194.937 -9.039 44.561 6.583 -4.126 -0.563 C14 5NH 14 5NH C15 C15 C 0 1 N N N 194.540 -9.646 45.904 5.400 -3.272 -1.025 C15 5NH 15 5NH C16 C16 C 0 1 N N N 195.113 -8.528 49.536 4.246 -0.601 -1.554 C16 5NH 16 5NH O17 O17 O 0 1 N N N 195.042 -7.294 49.488 3.962 -0.951 -2.680 O17 5NH 17 5NH C18 C18 C 0 1 N N N 197.243 -7.495 51.224 4.030 1.473 0.719 C18 5NH 18 5NH O19 O19 O 0 1 N N N 197.969 -7.759 50.259 4.054 1.482 1.931 O19 5NH 19 5NH N20 N20 N 0 1 N N N 195.629 -9.165 50.599 4.936 0.539 -1.357 N20 5NH 20 5NH C21 C21 C 0 1 N N S 196.257 -8.521 51.757 5.282 1.150 -0.056 C21 5NH 21 5NH C22 C22 C 0 1 N N S 196.788 -9.702 52.598 6.054 2.460 -0.408 C22 5NH 22 5NH C23 C23 C 0 1 N N N 195.607 -10.420 53.257 7.426 1.953 -0.951 C23 5NH 23 5NH C24 C24 C 0 1 N N N 194.876 -11.018 52.059 7.069 1.246 -2.279 C24 5NH 24 5NH C25 C25 C 0 1 N N R 195.756 -10.632 50.862 5.525 1.419 -2.410 C25 5NH 25 5NH C26 C26 C 0 1 N N N 197.129 -10.680 51.487 5.316 2.844 -1.741 C26 5NH 26 5NH N27 N27 N 0 1 N N N 197.172 -6.290 51.775 2.886 1.752 0.065 N27 5NH 27 5NH C28 C28 C 0 1 N N S 198.032 -5.203 51.344 1.701 2.182 0.812 C28 5NH 28 5NH C29 C29 C 0 1 N N N 197.195 -4.166 50.577 1.665 3.710 0.875 C29 5NH 29 5NH C30 C30 C 0 1 N N N 197.455 -4.149 49.072 2.901 4.220 1.619 C30 5NH 30 5NH C31 C31 C 0 1 N N N 196.185 -4.395 48.252 2.806 5.738 1.785 C31 5NH 31 5NH C32 C32 C 0 1 N N N 196.337 -4.003 46.794 4.095 6.263 2.421 C32 5NH 32 5NH O33 O33 O 0 1 N N N 199.167 -5.676 53.555 0.526 1.269 -1.014 O33 5NH 33 5NH C34 C34 C 0 1 N N N 198.780 -4.637 52.563 0.461 1.678 0.120 C34 5NH 34 5NH O35 O35 O 0 1 N N N 199.818 -2.894 51.456 -0.912 2.095 1.977 O35 5NH 35 5NH N36 N36 N 0 1 N N N 201.185 -4.608 51.875 -1.956 1.233 0.218 N36 5NH 36 5NH C37 C37 C 0 1 N N N 202.425 -3.903 51.590 -3.241 1.239 0.922 C37 5NH 37 5NH C38 C38 C 0 1 N N N 202.872 -3.859 50.145 -4.312 0.689 0.016 C38 5NH 38 5NH O39 O39 O 0 1 N N N 202.124 -4.194 49.226 -4.031 0.328 -1.107 O39 5NH 39 5NH C40 C40 C 0 1 N N N 200.005 -4.011 51.926 -0.847 1.684 0.837 C40 5NH 40 5NH N41 N41 N 0 1 N N N 204.103 -3.410 49.947 -5.584 0.599 0.454 N41 5NH 41 5NH C42 C42 C 0 1 N N S 204.681 -3.330 48.621 -6.626 0.064 -0.426 C42 5NH 42 5NH C43 C43 C 0 1 Y N N 204.427 -2.021 47.952 -7.747 -0.501 0.407 C43 5NH 43 5NH C44 C44 C 0 1 Y N N 204.193 -1.970 46.587 -8.244 0.220 1.477 C44 5NH 44 5NH C45 C45 C 0 1 Y N N 204.051 -0.755 45.947 -9.275 -0.297 2.239 C45 5NH 45 5NH C46 C46 C 0 1 Y N N 204.142 0.429 46.686 -9.803 -1.538 1.937 C46 5NH 46 5NH C47 C47 C 0 1 Y N N 204.369 0.379 48.054 -9.302 -2.261 0.871 C47 5NH 47 5NH C48 C48 C 0 1 Y N N 204.506 -0.842 48.676 -8.274 -1.743 0.106 C48 5NH 48 5NH C49 C49 C 0 1 N N N 206.206 -3.314 48.752 -7.158 1.168 -1.303 C49 5NH 49 5NH O50 O50 O 0 1 N N N 206.748 -2.772 49.724 -7.102 2.320 -0.928 O50 5NH 50 5NH N51 N51 N 0 1 N N N 206.917 -3.908 47.777 -7.697 0.876 -2.503 N51 5NH 51 5NH C52 C52 C 0 1 N N N 208.398 -3.833 47.845 -8.102 1.955 -3.407 C52 5NH 52 5NH C53 C53 C 0 1 N N N 206.289 -4.638 46.623 -7.879 -0.522 -2.903 C53 5NH 53 5NH H51 1H5 H 0 1 N N N 189.769 -11.783 51.526 -1.287 -1.635 0.023 H51 5NH 54 5NH H52 2H5 H 0 1 N N N 189.767 -9.987 51.511 -1.970 -2.302 1.525 H52 5NH 55 5NH H53 3H5 H 0 1 N N N 191.314 -10.885 51.344 -0.345 -1.578 1.532 H53 5NH 56 5NH H61 1H6 H 0 1 N N N 188.213 -10.812 48.410 -1.064 -5.376 -0.296 H61 5NH 57 5NH H62 2H6 H 0 1 N N N 189.005 -9.219 48.663 -2.349 -4.537 0.607 H62 5NH 58 5NH H63 3H6 H 0 1 N N N 188.134 -10.015 50.017 -1.832 -3.923 -0.982 H63 5NH 59 5NH H71 1H7 H 0 1 N N N 189.230 -12.887 49.178 0.771 -3.576 2.396 H71 5NH 60 5NH H72 2H7 H 0 1 N N N 191.025 -12.835 49.203 -0.829 -4.334 2.580 H72 5NH 61 5NH H73 3H7 H 0 1 N N N 190.128 -12.195 47.785 0.456 -5.173 1.676 H73 5NH 62 5NH HN8 HN8 H 0 1 N N N 192.553 -8.579 48.244 2.707 -2.718 -1.651 HN8 5NH 63 5NH H9 H9 H 0 1 N N N 194.870 -10.414 48.491 3.507 -0.793 0.439 H9 5NH 64 5NH H10 H10 H 0 1 N N N 194.395 -7.796 46.999 5.857 -1.650 0.317 H10 5NH 65 5NH H111 1H11 H 0 0 N N N 196.960 -9.441 47.129 4.334 -2.387 2.130 H111 5NH 66 5NH H112 2H11 H 0 0 N N N 196.695 -7.785 47.837 3.766 -3.728 1.108 H112 5NH 67 5NH H121 1H12 H 0 0 N N N 197.959 -7.764 45.696 6.642 -3.289 2.031 H121 5NH 68 5NH H122 2H12 H 0 0 N N N 196.390 -6.869 45.605 5.512 -4.495 2.693 H122 5NH 69 5NH H131 1H13 H 0 0 N N N 196.984 -9.686 44.586 7.028 -5.519 1.019 H131 5NH 70 5NH H132 2H13 H 0 0 N N N 196.667 -8.204 43.588 5.339 -5.558 0.459 H132 5NH 71 5NH H141 1H14 H 0 0 N N N 194.704 -9.761 43.764 7.430 -3.479 -0.332 H141 5NH 72 5NH H142 2H14 H 0 0 N N N 194.377 -8.104 44.410 6.861 -4.821 -1.355 H142 5NH 73 5NH H151 1H15 H 0 0 N N N 193.446 -9.760 45.914 4.553 -3.919 -1.255 H151 5NH 74 5NH H152 2H15 H 0 0 N N N 195.050 -10.614 46.015 5.683 -2.712 -1.917 H152 5NH 75 5NH H21 H21 H 0 1 N N N 195.621 -7.925 52.428 5.919 0.479 0.519 H21 5NH 76 5NH H22 H22 H 0 1 N N N 197.555 -9.402 53.327 6.093 3.224 0.369 H22 5NH 77 5NH H231 1H23 H 0 0 N N N 194.976 -9.755 53.865 8.098 2.792 -1.134 H231 5NH 78 5NH H232 2H23 H 0 0 N N N 195.940 -11.195 53.963 7.877 1.248 -0.252 H232 5NH 79 5NH H241 1H24 H 0 0 N N N 193.845 -10.645 51.964 7.578 1.725 -3.115 H241 5NH 80 5NH H242 2H24 H 0 0 N N N 194.781 -12.110 52.151 7.330 0.188 -2.229 H242 5NH 81 5NH H25 H25 H 0 1 N N N 195.536 -11.241 49.973 5.119 1.300 -3.415 H25 5NH 82 5NH H261 1H26 H 0 0 N N N 197.526 -11.664 51.776 4.262 3.079 -1.594 H261 5NH 83 5NH H262 2H26 H 0 0 N N N 197.948 -10.361 50.826 5.837 3.633 -2.283 H262 5NH 84 5NH H27 H27 H 0 1 N N N 196.509 -6.127 52.506 2.846 1.669 -0.901 H27 5NH 85 5NH H28 H28 H 0 1 N N N 198.804 -5.552 50.643 1.743 1.778 1.823 H28 5NH 86 5NH H291 1H29 H 0 0 N N N 197.478 -3.176 50.963 0.766 4.031 1.401 H291 5NH 87 5NH H292 2H29 H 0 0 N N N 196.132 -4.402 50.736 1.657 4.116 -0.137 H292 5NH 88 5NH H301 1H30 H 0 0 N N N 198.162 -4.960 48.845 3.796 3.972 1.049 H301 5NH 89 5NH H302 2H30 H 0 0 N N N 197.859 -3.163 48.800 2.953 3.750 2.601 H302 5NH 90 5NH H311 1H31 H 0 0 N N N 195.387 -3.771 48.681 1.959 5.982 2.426 H311 5NH 91 5NH H312 2H31 H 0 0 N N N 195.945 -5.468 48.299 2.668 6.202 0.808 H312 5NH 92 5NH H321 1H32 H 0 0 N N N 195.480 -4.386 46.220 4.189 5.866 3.432 H321 5NH 93 5NH H322 2H32 H 0 0 N N N 197.267 -4.432 46.394 4.950 5.944 1.825 H322 5NH 94 5NH H323 3H32 H 0 0 N N N 196.374 -2.907 46.710 4.064 7.351 2.460 H323 5NH 95 5NH H36 H36 H 0 1 N N N 201.226 -5.593 52.041 -1.904 0.905 -0.693 H36 5NH 96 5NH H371 1H37 H 0 0 N N N 203.208 -4.466 52.120 -3.168 0.620 1.816 H371 5NH 97 5NH H372 2H37 H 0 0 N N N 202.287 -2.862 51.917 -3.495 2.260 1.207 H372 5NH 98 5NH H41 H41 H 0 1 N N N 204.647 -3.119 50.734 -5.809 0.888 1.352 H41 5NH 99 5NH H42 H42 H 0 1 N N N 204.249 -4.173 48.062 -6.204 -0.724 -1.051 H42 5NH 100 5NH H44 H44 H 0 1 N N N 204.121 -2.887 46.020 -7.832 1.190 1.712 H44 5NH 101 5NH H45 H45 H 0 1 N N N 203.871 -0.719 44.883 -9.667 0.269 3.071 H45 5NH 102 5NH H46 H46 H 0 1 N N N 204.035 1.383 46.191 -10.607 -1.943 2.534 H46 5NH 103 5NH H47 H47 H 0 1 N N N 204.438 1.292 48.627 -9.715 -3.231 0.635 H47 5NH 104 5NH H48 H48 H 0 1 N N N 204.677 -0.881 49.742 -7.883 -2.308 -0.727 H48 5NH 105 5NH H521 1H52 H 0 0 N N N 208.785 -4.712 48.382 -7.891 2.918 -2.941 H521 5NH 106 5NH H522 2H52 H 0 0 N N N 208.695 -2.917 48.378 -7.546 1.874 -4.341 H522 5NH 107 5NH H523 3H52 H 0 0 N N N 208.812 -3.814 46.826 -9.170 1.876 -3.612 H523 5NH 108 5NH H531 1H53 H 0 0 N N N 205.320 -5.053 46.936 -7.452 -1.176 -2.143 H531 5NH 109 5NH H532 2H53 H 0 0 N N N 206.952 -5.455 46.302 -8.943 -0.734 -3.009 H532 5NH 110 5NH H533 3H53 H 0 0 N N N 206.136 -3.940 45.787 -7.377 -0.695 -3.855 H533 5NH 111 # 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 5NH C1 O2 DOUB N N 1 5NH C1 O3 SING N N 2 5NH C1 N8 SING N N 3 5NH O3 C4 SING N N 4 5NH C4 C5 SING N N 5 5NH C4 C6 SING N N 6 5NH C4 C7 SING N N 7 5NH C5 H51 SING N N 8 5NH C5 H52 SING N N 9 5NH C5 H53 SING N N 10 5NH C6 H61 SING N N 11 5NH C6 H62 SING N N 12 5NH C6 H63 SING N N 13 5NH C7 H71 SING N N 14 5NH C7 H72 SING N N 15 5NH C7 H73 SING N N 16 5NH N8 C9 SING N N 17 5NH N8 HN8 SING N N 18 5NH C9 C10 SING N N 19 5NH C9 C16 SING N N 20 5NH C9 H9 SING N N 21 5NH C10 C11 SING N N 22 5NH C10 C15 SING N N 23 5NH C10 H10 SING N N 24 5NH C11 C12 SING N N 25 5NH C11 H111 SING N N 26 5NH C11 H112 SING N N 27 5NH C12 C13 SING N N 28 5NH C12 H121 SING N N 29 5NH C12 H122 SING N N 30 5NH C13 C14 SING N N 31 5NH C13 H131 SING N N 32 5NH C13 H132 SING N N 33 5NH C14 C15 SING N N 34 5NH C14 H141 SING N N 35 5NH C14 H142 SING N N 36 5NH C15 H151 SING N N 37 5NH C15 H152 SING N N 38 5NH C16 O17 DOUB N N 39 5NH C16 N20 SING N N 40 5NH C18 O19 DOUB N N 41 5NH C18 C21 SING N N 42 5NH C18 N27 SING N N 43 5NH N20 C21 SING N N 44 5NH N20 C25 SING N N 45 5NH C21 C22 SING N N 46 5NH C21 H21 SING N N 47 5NH C22 C23 SING N N 48 5NH C22 C26 SING N N 49 5NH C22 H22 SING N N 50 5NH C23 C24 SING N N 51 5NH C23 H231 SING N N 52 5NH C23 H232 SING N N 53 5NH C24 C25 SING N N 54 5NH C24 H241 SING N N 55 5NH C24 H242 SING N N 56 5NH C25 C26 SING N N 57 5NH C25 H25 SING N N 58 5NH C26 H261 SING N N 59 5NH C26 H262 SING N N 60 5NH N27 C28 SING N N 61 5NH N27 H27 SING N N 62 5NH C28 C29 SING N N 63 5NH C28 C34 SING N N 64 5NH C28 H28 SING N N 65 5NH C29 C30 SING N N 66 5NH C29 H291 SING N N 67 5NH C29 H292 SING N N 68 5NH C30 C31 SING N N 69 5NH C30 H301 SING N N 70 5NH C30 H302 SING N N 71 5NH C31 C32 SING N N 72 5NH C31 H311 SING N N 73 5NH C31 H312 SING N N 74 5NH C32 H321 SING N N 75 5NH C32 H322 SING N N 76 5NH C32 H323 SING N N 77 5NH O33 C34 DOUB N N 78 5NH C34 C40 SING N N 79 5NH O35 C40 DOUB N N 80 5NH N36 C37 SING N N 81 5NH N36 C40 SING N N 82 5NH N36 H36 SING N N 83 5NH C37 C38 SING N N 84 5NH C37 H371 SING N N 85 5NH C37 H372 SING N N 86 5NH C38 O39 DOUB N N 87 5NH C38 N41 SING N N 88 5NH N41 C42 SING N N 89 5NH N41 H41 SING N N 90 5NH C42 C43 SING N N 91 5NH C42 C49 SING N N 92 5NH C42 H42 SING N N 93 5NH C43 C44 SING Y N 94 5NH C43 C48 DOUB Y N 95 5NH C44 C45 DOUB Y N 96 5NH C44 H44 SING N N 97 5NH C45 C46 SING Y N 98 5NH C45 H45 SING N N 99 5NH C46 C47 DOUB Y N 100 5NH C46 H46 SING N N 101 5NH C47 C48 SING Y N 102 5NH C47 H47 SING N N 103 5NH C48 H48 SING N N 104 5NH C49 O50 DOUB N N 105 5NH C49 N51 SING N N 106 5NH N51 C52 SING N N 107 5NH N51 C53 SING N N 108 5NH C52 H521 SING N N 109 5NH C52 H522 SING N N 110 5NH C52 H523 SING N N 111 5NH C53 H531 SING N N 112 5NH C53 H532 SING N N 113 5NH C53 H533 SING N N 114 # 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 5NH SMILES ACDLabs 10.04 "O=C(N2C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CCCC)C3CC2CC3)C(NC(=O)OC(C)(C)C)C4CCCCC4" 5NH SMILES_CANONICAL CACTVS 3.341 "CCCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c4ccccc4" 5NH SMILES CACTVS 3.341 "CCCC[CH](NC(=O)[CH]1[CH]2CC[CH](C2)N1C(=O)[CH](NC(=O)OC(C)(C)C)C3CCCCC3)C(=O)C(=O)NCC(=O)N[CH](C(=O)N(C)C)c4ccccc4" 5NH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C" 5NH SMILES "OpenEye OEToolkits" 1.5.0 "CCCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)NC(=O)C2C3CCC(C3)N2C(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C" 5NH InChI InChI 1.03 ;InChI=1S/C39H58N6O8/c1-7-8-19-28(33(47)35(49)40-23-29(46)42-30(36(50)44(5)6)24-15-11-9-12-16-24)41-34(48)32-26-20-21-27(22-26)45(32)37(51)31(25-17-13-10-14-18-25)43-38(52)53-39(2,3)4/h9,11-12,15-16,25-28,30-32H,7-8,10,13-14,17-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26-,27+,28-,30-,31-,32-/m0/s1 ; 5NH InChIKey InChI 1.03 YGRWTFVDMXHDOB-KTARVVEZSA-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 5NH "SYSTEMATIC NAME" ACDLabs 10.04 "tert-butyl {(1S)-1-cyclohexyl-2-[(1R,3S,4S)-3-{[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}pentyl]carbamoyl}-2-azabicyclo[2.2.1]hept-2-yl]-2-oxoethyl}carbamate" 5NH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "tert-butyl N-[(1S)-1-cyclohexyl-2-[(1S,4R,6S)-6-[[(3S)-1-[[2-[[(1S)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1,2-dioxo-heptan-3-yl]carbamoyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxo-ethyl]carbamate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 5NH "Create component" 2005-12-23 RCSB 5NH "Modify descriptor" 2011-06-04 RCSB #