data_3BC # _chem_comp.id 3BC _chem_comp.name ;TERT-BUTYL [(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1 -OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H56 N6 O8" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2006-01-20 _chem_comp.pdbx_modified_date 2020-06-17 _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 724.887 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 3BC _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 2FM2 _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 3BC C1 C1 C 0 1 N N N 192.302 -10.299 49.228 8.023 -1.484 0.317 C1 3BC 1 3BC O2 O2 O 0 1 N N N 192.803 -11.046 50.080 7.677 -2.592 -0.040 O2 3BC 2 3BC O3 O3 O 0 1 N N N 190.966 -10.134 49.030 9.328 -1.216 0.513 O3 3BC 3 3BC C4 C4 C 0 1 N N N 189.913 -10.849 49.729 10.322 -2.252 0.296 C4 3BC 4 3BC C5 C5 C 0 1 N N N 189.852 -10.442 51.224 10.256 -2.727 -1.156 C5 3BC 5 3BC C6 C6 C 0 1 N N N 188.623 -10.463 48.982 11.715 -1.690 0.586 C6 3BC 6 3BC C7 C7 C 0 1 N N N 190.100 -12.365 49.603 10.042 -3.430 1.231 C7 3BC 7 3BC N8 N8 N 0 1 N N N 193.026 -9.528 48.419 7.100 -0.522 0.518 N8 3BC 8 3BC C9 C9 C 0 1 N N S 194.489 -9.525 48.423 5.680 -0.814 0.305 C9 3BC 9 3BC C10 C10 C 0 1 N N N 195.052 -9.188 47.039 5.092 -1.438 1.572 C10 3BC 10 3BC C11 C11 C 0 1 N N N 196.600 -9.058 47.142 3.618 -1.772 1.339 C11 3BC 11 3BC C12 C12 C 0 1 N N N 194.697 -10.323 46.077 5.858 -2.718 1.913 C12 3BC 12 3BC C13 C13 C 0 1 N N N 194.396 -7.893 46.499 5.213 -0.447 2.732 C13 3BC 13 3BC C14 C14 C 0 1 N N N 195.058 -8.643 49.528 4.947 0.464 -0.012 C14 3BC 14 3BC O15 O15 O 0 1 N N N 194.898 -7.417 49.508 5.346 1.519 0.434 O15 3BC 15 3BC N16 N16 N 0 1 N N N 195.718 -9.269 50.512 3.849 0.435 -0.792 N16 3BC 16 3BC C17 C17 C 0 1 N N N 195.959 -10.718 50.609 3.239 -0.747 -1.473 C17 3BC 17 3BC C18 C18 C 0 1 N N S 196.317 -8.550 51.635 2.946 1.553 -1.154 C18 3BC 18 3BC C19 C19 C 0 1 N N R 196.781 -9.562 52.635 2.592 1.308 -2.637 C19 3BC 19 3BC C20 C20 C 0 1 N N S 196.791 -10.828 51.849 2.801 -0.206 -2.851 C20 3BC 20 3BC C21 C21 C 0 1 N N N 196.005 -10.763 53.162 3.709 0.851 -3.578 C21 3BC 21 3BC C22 C22 C 0 1 N N N 196.582 -11.538 54.305 3.497 1.047 -5.081 C22 3BC 22 3BC C23 C23 C 0 1 N N N 194.491 -10.722 53.140 5.152 0.993 -3.092 C23 3BC 23 3BC C24 C24 C 0 1 N N N 197.319 -7.508 51.158 1.701 1.518 -0.304 C24 3BC 24 3BC O25 O25 O 0 1 N N N 198.322 -7.837 50.527 1.408 0.509 0.301 O25 3BC 25 3BC N26 N26 N 0 1 N N N 197.022 -6.247 51.450 0.914 2.609 -0.218 N26 3BC 26 3BC C27 C27 C 0 1 N N S 197.894 -5.146 51.051 -0.233 2.614 0.693 C27 3BC 27 3BC C28 C28 C 0 1 N N N 197.090 -4.052 50.337 -0.592 4.057 1.053 C28 3BC 28 3BC C29 C29 C 0 1 N N N 196.320 -4.617 49.141 0.551 4.681 1.856 C29 3BC 29 3BC C30 C30 C 0 1 N N N 196.871 -4.703 47.713 0.434 6.163 2.217 C30 3BC 30 3BC C31 C31 C 0 1 N N N 195.744 -3.723 48.044 0.257 5.097 3.299 C31 3BC 31 3BC O32 O32 O 0 1 N N N 199.226 -5.715 53.062 -1.400 1.774 -1.174 O32 3BC 32 3BC C33 C33 C 0 1 N N N 198.585 -4.590 52.347 -1.411 1.957 0.020 C33 3BC 33 3BC O34 O34 O 0 1 N N N 199.537 -2.682 51.218 -2.601 1.716 2.028 O34 3BC 34 3BC N35 N35 N 0 1 N N N 200.866 -4.460 51.617 -3.643 0.944 0.227 N35 3BC 35 3BC C36 C36 C 0 1 N N N 202.158 -3.804 51.525 -4.801 0.527 1.021 C36 3BC 36 3BC C37 C37 C 0 1 N N N 202.677 -3.749 50.108 -5.831 -0.098 0.117 C37 3BC 37 3BC O38 O38 O 0 1 N N N 201.927 -3.903 49.138 -5.619 -0.186 -1.074 O38 3BC 38 3BC C39 C39 C 0 1 N N N 199.707 -3.814 51.674 -2.589 1.532 0.828 C39 3BC 39 3BC N40 N40 N 0 1 N N N 203.979 -3.510 49.997 -6.989 -0.559 0.631 N40 3BC 40 3BC C41 C41 C 0 1 N N S 204.644 -3.433 48.705 -7.991 -1.167 -0.248 C41 3BC 41 3BC C42 C42 C 0 1 Y N N 204.313 -2.133 47.937 -8.850 -2.113 0.549 C42 3BC 42 3BC C43 C43 C 0 1 Y N N 204.350 -0.884 48.566 -9.367 -1.718 1.769 C43 3BC 43 3BC C44 C44 C 0 1 Y N N 203.979 -2.202 46.582 -9.118 -3.379 0.063 C44 3BC 44 3BC C45 C45 C 0 1 Y N N 204.087 0.280 47.850 -10.159 -2.585 2.498 C45 3BC 45 3BC C46 C46 C 0 1 Y N N 203.714 -1.043 45.855 -9.907 -4.248 0.794 C46 3BC 46 3BC C47 C47 C 0 1 Y N N 203.759 0.199 46.495 -10.428 -3.850 2.011 C47 3BC 47 3BC C48 C48 C 0 1 N N N 206.155 -3.582 48.868 -8.854 -0.087 -0.847 C48 3BC 48 3BC O49 O49 O 0 1 N N N 206.774 -2.892 49.685 -8.981 0.975 -0.275 O49 3BC 49 3BC N50 N50 N 0 1 N N N 206.776 -4.476 48.080 -9.486 -0.301 -2.018 N50 3BC 50 3BC C51 C51 C 0 1 N N N 208.219 -4.531 48.067 -10.376 0.724 -2.569 C51 3BC 51 3BC C52 C52 C 0 1 N N N 206.087 -5.428 47.214 -9.284 -1.560 -2.740 C52 3BC 52 3BC H51 1H5 H 0 1 N N N 189.838 -11.346 51.850 10.455 -1.887 -1.823 H51 3BC 53 3BC H52 2H5 H 0 1 N N N 190.735 -9.836 51.475 11.002 -3.504 -1.319 H52 3BC 54 3BC H53 3H5 H 0 1 N N N 188.940 -9.855 51.407 9.263 -3.127 -1.363 H53 3BC 55 3BC H61 1H6 H 0 1 N N N 187.796 -10.371 49.701 11.762 -1.352 1.621 H61 3BC 56 3BC H62 2H6 H 0 1 N N N 188.771 -9.502 48.468 12.462 -2.468 0.424 H62 3BC 57 3BC H63 3H6 H 0 1 N N N 188.381 -11.241 48.243 11.915 -0.851 -0.080 H63 3BC 58 3BC H71 1H7 H 0 1 N N N 190.145 -12.642 48.539 9.050 -3.830 1.025 H71 3BC 59 3BC H72 2H7 H 0 1 N N N 191.036 -12.661 50.099 10.789 -4.208 1.069 H72 3BC 60 3BC H73 3H7 H 0 1 N N N 189.253 -12.880 50.080 10.090 -3.092 2.266 H73 3BC 61 3BC HN8 HN8 H 0 1 N N N 192.549 -8.924 47.780 7.376 0.363 0.803 HN8 3BC 62 3BC H9 H9 H 0 1 N N N 194.821 -10.547 48.656 5.573 -1.510 -0.527 H9 3BC 63 3BC H111 1H11 H 0 0 N N N 197.034 -9.027 46.132 3.524 -2.407 0.458 H111 3BC 64 3BC H112 2H11 H 0 0 N N N 196.855 -8.132 47.679 3.222 -2.296 2.209 H112 3BC 65 3BC H113 3H11 H 0 0 N N N 197.005 -9.923 47.688 3.056 -0.851 1.184 H113 3BC 66 3BC H121 1H12 H 0 0 N N N 194.612 -9.925 45.055 6.908 -2.480 2.079 H121 3BC 67 3BC H122 2H12 H 0 0 N N N 195.486 -11.089 46.107 5.439 -3.162 2.816 H122 3BC 68 3BC H123 3H12 H 0 0 N N N 193.738 -10.771 46.377 5.772 -3.423 1.087 H123 3BC 69 3BC H131 1H13 H 0 0 N N N 194.240 -7.187 47.328 4.668 0.465 2.489 H131 3BC 70 3BC H132 2H13 H 0 0 N N N 195.054 -7.435 45.746 4.795 -0.892 3.635 H132 3BC 71 3BC H133 3H13 H 0 0 N N N 193.427 -8.137 46.039 6.264 -0.209 2.898 H133 3BC 72 3BC H171 1H17 H 0 0 N N N 195.020 -11.284 50.695 2.379 -1.129 -0.924 H171 3BC 73 3BC H172 2H17 H 0 0 N N N 196.449 -11.138 49.718 3.992 -1.526 -1.593 H172 3BC 74 3BC H18 H18 H 0 1 N N N 195.591 -7.922 52.172 3.458 2.508 -1.038 H18 3BC 75 3BC H19 H19 H 0 1 N N N 197.370 -8.866 53.251 1.728 1.832 -3.043 H19 3BC 76 3BC H20 H20 H 0 1 N N N 197.555 -11.514 51.454 2.099 -0.806 -3.430 H20 3BC 77 3BC H221 1H22 H 0 0 N N N 196.724 -12.586 54.004 2.608 0.501 -5.397 H221 3BC 78 3BC H222 2H22 H 0 0 N N N 197.552 -11.104 54.589 3.367 2.108 -5.293 H222 3BC 79 3BC H223 3H22 H 0 0 N N N 195.894 -11.493 55.162 4.366 0.672 -5.622 H223 3BC 80 3BC H231 1H23 H 0 0 N N N 194.109 -10.712 54.171 5.832 0.624 -3.860 H231 3BC 81 3BC H232 2H23 H 0 0 N N N 194.157 -9.814 52.617 5.366 2.043 -2.891 H232 3BC 82 3BC H233 3H23 H 0 0 N N N 194.108 -11.610 52.616 5.287 0.414 -2.179 H233 3BC 83 3BC HN26 HN26 H 0 0 N N N 196.182 -6.047 51.955 1.108 3.391 -0.759 HN26 3BC 84 3BC H27 H27 H 0 1 N N N 198.658 -5.497 50.341 0.020 2.065 1.600 H27 3BC 85 3BC H281 1H28 H 0 0 N N N 196.372 -3.617 51.048 -0.751 4.631 0.140 H281 3BC 86 3BC H282 2H28 H 0 0 N N N 197.792 -3.289 49.970 -1.503 4.066 1.651 H282 3BC 87 3BC H29 H29 H 0 1 N N N 195.921 -5.354 49.854 1.546 4.294 1.637 H29 3BC 88 3BC H301 1H30 H 0 0 N N N 197.884 -4.531 47.319 1.352 6.751 2.235 H301 3BC 89 3BC H302 2H30 H 0 0 N N N 197.035 -5.501 46.974 -0.458 6.694 1.882 H302 3BC 90 3BC H311 1H31 H 0 0 N N N 194.722 -3.642 47.646 -0.752 4.925 3.676 H311 3BC 91 3BC H312 2H31 H 0 0 N N N 195.571 -2.645 47.913 1.058 4.982 4.029 H312 3BC 92 3BC HN35 HN35 H 0 0 N N N 200.848 -5.460 51.639 -3.634 0.797 -0.732 HN35 3BC 93 3BC H361 1H36 H 0 0 N N N 202.054 -2.775 51.899 -5.233 1.396 1.518 H361 3BC 94 3BC H362 2H36 H 0 0 N N N 202.874 -4.386 52.124 -4.485 -0.200 1.770 H362 3BC 95 3BC HN40 HN40 H 0 0 N N N 204.520 -3.379 50.828 -7.158 -0.488 1.584 HN40 3BC 96 3BC H41 H41 H 0 1 N N N 204.259 -4.269 48.103 -7.489 -1.715 -1.046 H41 3BC 97 3BC H43 H43 H 0 1 N N N 204.585 -0.822 49.618 -9.157 -0.729 2.149 H43 3BC 98 3BC H44 H44 H 0 1 N N N 203.926 -3.163 46.093 -8.712 -3.690 -0.888 H44 3BC 99 3BC H45 H45 H 0 1 N N N 204.136 1.241 48.340 -10.566 -2.274 3.449 H45 3BC 100 3BC H46 H46 H 0 1 N N N 203.475 -1.104 44.803 -10.117 -5.237 0.414 H46 3BC 101 3BC H47 H47 H 0 1 N N N 203.539 1.099 45.940 -11.044 -4.529 2.582 H47 3BC 102 3BC H511 1H51 H 0 0 N N N 208.577 -4.545 47.027 -10.793 0.374 -3.513 H511 3BC 103 3BC H512 2H51 H 0 0 N N N 208.624 -3.647 48.582 -11.185 0.920 -1.865 H512 3BC 104 3BC H513 3H51 H 0 0 N N N 208.556 -5.443 48.582 -9.812 1.642 -2.738 H513 3BC 105 3BC H521 1H52 H 0 0 N N N 205.914 -4.970 46.229 -8.671 -2.230 -2.137 H521 3BC 106 3BC H522 2H52 H 0 0 N N N 206.706 -6.330 47.095 -10.250 -2.027 -2.934 H522 3BC 107 3BC H523 3H52 H 0 0 N N N 205.122 -5.702 47.665 -8.781 -1.359 -3.686 H523 3BC 108 # # 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 3BC C1 O2 DOUB N N 1 3BC C1 O3 SING N N 2 3BC C1 N8 SING N N 3 3BC O3 C4 SING N N 4 3BC C4 C5 SING N N 5 3BC C4 C6 SING N N 6 3BC C4 C7 SING N N 7 3BC C5 H51 SING N N 8 3BC C5 H52 SING N N 9 3BC C5 H53 SING N N 10 3BC C6 H61 SING N N 11 3BC C6 H62 SING N N 12 3BC C6 H63 SING N N 13 3BC C7 H71 SING N N 14 3BC C7 H72 SING N N 15 3BC C7 H73 SING N N 16 3BC N8 C9 SING N N 17 3BC N8 HN8 SING N N 18 3BC C9 C10 SING N N 19 3BC C9 C14 SING N N 20 3BC C9 H9 SING N N 21 3BC C10 C11 SING N N 22 3BC C10 C12 SING N N 23 3BC C10 C13 SING N N 24 3BC C11 H111 SING N N 25 3BC C11 H112 SING N N 26 3BC C11 H113 SING N N 27 3BC C12 H121 SING N N 28 3BC C12 H122 SING N N 29 3BC C12 H123 SING N N 30 3BC C13 H131 SING N N 31 3BC C13 H132 SING N N 32 3BC C13 H133 SING N N 33 3BC C14 O15 DOUB N N 34 3BC C14 N16 SING N N 35 3BC N16 C17 SING N N 36 3BC N16 C18 SING N N 37 3BC C17 C20 SING N N 38 3BC C17 H171 SING N N 39 3BC C17 H172 SING N N 40 3BC C18 C19 SING N N 41 3BC C18 C24 SING N N 42 3BC C18 H18 SING N N 43 3BC C19 C20 SING N N 44 3BC C19 C21 SING N N 45 3BC C19 H19 SING N N 46 3BC C20 C21 SING N N 47 3BC C20 H20 SING N N 48 3BC C21 C22 SING N N 49 3BC C21 C23 SING N N 50 3BC C22 H221 SING N N 51 3BC C22 H222 SING N N 52 3BC C22 H223 SING N N 53 3BC C23 H231 SING N N 54 3BC C23 H232 SING N N 55 3BC C23 H233 SING N N 56 3BC C24 O25 DOUB N N 57 3BC C24 N26 SING N N 58 3BC N26 C27 SING N N 59 3BC N26 HN26 SING N N 60 3BC C27 C28 SING N N 61 3BC C27 C33 SING N N 62 3BC C27 H27 SING N N 63 3BC C28 C29 SING N N 64 3BC C28 H281 SING N N 65 3BC C28 H282 SING N N 66 3BC C29 C30 SING N N 67 3BC C29 C31 SING N N 68 3BC C29 H29 SING N N 69 3BC C30 C31 SING N N 70 3BC C30 H301 SING N N 71 3BC C30 H302 SING N N 72 3BC C31 H311 SING N N 73 3BC C31 H312 SING N N 74 3BC O32 C33 DOUB N N 75 3BC C33 C39 SING N N 76 3BC O34 C39 DOUB N N 77 3BC N35 C36 SING N N 78 3BC N35 C39 SING N N 79 3BC N35 HN35 SING N N 80 3BC C36 C37 SING N N 81 3BC C36 H361 SING N N 82 3BC C36 H362 SING N N 83 3BC C37 O38 DOUB N N 84 3BC C37 N40 SING N N 85 3BC N40 C41 SING N N 86 3BC N40 HN40 SING N N 87 3BC C41 C42 SING N N 88 3BC C41 C48 SING N N 89 3BC C41 H41 SING N N 90 3BC C42 C43 SING Y N 91 3BC C42 C44 DOUB Y N 92 3BC C43 C45 DOUB Y N 93 3BC C43 H43 SING N N 94 3BC C44 C46 SING Y N 95 3BC C44 H44 SING N N 96 3BC C45 C47 SING Y N 97 3BC C45 H45 SING N N 98 3BC C46 C47 DOUB Y N 99 3BC C46 H46 SING N N 100 3BC C47 H47 SING N N 101 3BC C48 O49 DOUB N N 102 3BC C48 N50 SING N N 103 3BC N50 C51 SING N N 104 3BC N50 C52 SING N N 105 3BC C51 H511 SING N N 106 3BC C51 H512 SING N N 107 3BC C51 H513 SING N N 108 3BC C52 H521 SING N N 109 3BC C52 H522 SING N N 110 3BC C52 H523 SING N N 111 # # 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 3BC SMILES ACDLabs 10.04 "O=C(N4C(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)CC2CC2)C3C(C)(C3C4)C)C(NC(=O)OC(C)(C)C)C(C)(C)C" 3BC SMILES_CANONICAL CACTVS 3.341 "CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@H](CC1CC1)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3(C)C)c4ccccc4" 3BC SMILES CACTVS 3.341 "CN(C)C(=O)[CH](NC(=O)CNC(=O)C(=O)[CH](CC1CC1)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)OC(C)(C)C)C(C)(C)C)C3(C)C)c4ccccc4" 3BC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C" 3BC SMILES "OpenEye OEToolkits" 1.5.0 "CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=O)NC(c4ccccc4)C(=O)N(C)C)C" 3BC InChI InChI 1.03 "InChI=1S/C38H56N6O8/c1-36(2,3)30(42-35(51)52-37(4,5)6)34(50)44-20-23-26(38(23,7)8)28(44)31(47)40-24(18-21-16-17-21)29(46)32(48)39-19-25(45)41-27(33(49)43(9)10)22-14-12-11-13-15-22/h11-15,21,23-24,26-28,30H,16-20H2,1-10H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t23-,24-,26-,27-,28-,30+/m0/s1" 3BC InChIKey InChI 1.03 WHFNHDUMWYGJDL-WYFABNACSA-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 3BC "SYSTEMATIC NAME" ACDLabs 10.04 "tert-butyl [(1S)-1-{[(1R,2S,5S)-2-({(1S)-1-(cyclopropylmethyl)-3-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-2,3-dioxopropyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl}-2,2-dimethylpropyl]carbamate" 3BC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "tert-butyl N-[(2S)-1-[(1R,2S,5S)-2-[[(2S)-1-cyclopropyl-4-[[2-[[(1S)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-3,4-dioxo-butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxo-butan-2-yl]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 3BC "Create component" 2006-01-20 RCSB 3BC "Modify descriptor" 2011-06-04 RCSB 3BC "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 3BC _pdbx_chem_comp_synonyms.name "N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##