data_BL5 # _chem_comp.id BL5 _chem_comp.name ;2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H62 N8 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2003-12-02 _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 694.950 _chem_comp.one_letter_code ? _chem_comp.three_letter_code BL5 _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 1RL4 _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 BL5 C5 C5 C 0 1 Y N N -9.224 34.429 -8.670 -8.924 -0.619 -2.949 C5 BL5 1 BL5 C4 C4 C 0 1 Y N N -8.187 33.899 -7.900 -9.992 -0.344 -3.781 C4 BL5 2 BL5 C3 C3 C 0 1 Y N N -7.617 32.672 -8.247 -11.244 -0.855 -3.493 C3 BL5 3 BL5 C2 C2 C 0 1 Y N N -8.091 31.987 -9.376 -11.430 -1.648 -2.375 C2 BL5 4 BL5 C1 C1 C 0 1 Y N N -9.122 32.522 -10.140 -10.366 -1.931 -1.542 C1 BL5 5 BL5 C6 C6 C 0 1 Y N N -9.707 33.739 -9.789 -9.107 -1.419 -1.829 C6 BL5 6 BL5 N7 N7 N 0 1 N N N -10.707 34.302 -10.495 -8.026 -1.705 -0.987 N7 BL5 7 BL5 C8 C8 C 0 1 N N N -11.541 33.726 -11.369 -7.061 -0.784 -0.794 C8 BL5 8 BL5 O9 O9 O 0 1 N N N -11.466 32.566 -11.778 -7.178 0.326 -1.269 O9 BL5 9 BL5 C10 C10 C 0 1 N N S -12.698 34.638 -11.820 -5.836 -1.133 0.012 C10 BL5 10 BL5 C11 C11 C 0 1 N N N -13.862 34.313 -10.870 -6.255 -1.533 1.428 C11 BL5 11 BL5 C12 C12 C 0 1 N N N -15.055 35.269 -11.018 -5.027 -2.006 2.209 C12 BL5 12 BL5 C13 C13 C 0 1 N N N -16.020 35.076 -9.844 -5.446 -2.406 3.625 C13 BL5 13 BL5 C14 C14 C 0 1 N N N -17.468 35.236 -10.300 -4.218 -2.879 4.405 C14 BL5 14 BL5 N15 N15 N 0 1 N N N -18.075 36.411 -9.668 -4.620 -3.263 5.765 N15 BL5 15 BL5 N16 N16 N 0 1 N N N -13.076 34.404 -13.238 -4.946 0.028 0.075 N16 BL5 16 BL5 C17 C17 C 0 1 N N N -12.632 35.179 -14.248 -3.624 -0.146 0.277 C17 BL5 17 BL5 O18 O18 O 0 1 N N N -11.881 36.137 -14.062 -3.173 -1.265 0.407 O18 BL5 18 BL5 C19 C19 C 0 1 N N S -13.098 34.817 -15.703 -2.708 1.048 0.342 C19 BL5 19 BL5 C20 C20 C 0 1 N N N -14.124 35.860 -16.181 -3.141 1.961 1.491 C20 BL5 20 BL5 C21 C21 C 0 1 N N N -15.490 35.753 -15.492 -2.317 3.250 1.456 C21 BL5 21 BL5 C22 C22 C 0 1 N N N -16.436 36.863 -15.969 -2.823 4.208 2.537 C22 BL5 22 BL5 C23 C23 C 0 1 N N N -17.590 37.058 -14.977 -1.999 5.497 2.502 C23 BL5 23 BL5 C24 C24 C 0 1 N N N -11.954 34.892 -16.751 -1.272 0.577 0.578 C24 BL5 24 BL5 N25 N25 N 0 1 N N N -11.161 33.635 -16.970 -0.357 1.721 0.473 N25 BL5 25 BL5 N26 N26 N 0 1 N N N -11.577 32.704 -16.013 0.983 1.208 0.706 N26 BL5 26 BL5 C27 C27 C 0 1 N N N -10.767 31.473 -16.187 1.898 2.353 0.601 C27 BL5 27 BL5 C32 C32 C 0 1 N N S -10.834 30.774 -14.811 3.317 1.906 0.956 C32 BL5 28 BL5 C31 C31 C 0 1 N N N -9.738 29.706 -14.664 4.258 3.112 0.912 C31 BL5 29 BL5 C30 C30 C 0 1 N N N -9.015 29.769 -13.309 3.860 4.109 2.002 C30 BL5 30 BL5 C29 C29 C 0 1 N N N -7.655 30.456 -13.408 4.726 5.365 1.884 C29 BL5 31 BL5 C28 C28 C 0 1 N N N -6.548 29.684 -12.697 4.328 6.362 2.975 C28 BL5 32 BL5 C34 C34 C 0 1 N N N -12.242 30.164 -14.586 3.781 0.871 -0.036 C34 BL5 33 BL5 O33 O33 O 0 1 N N N -12.669 29.253 -15.304 3.048 0.524 -0.938 O33 BL5 34 BL5 N35 N35 N 0 1 N N N -12.926 30.687 -13.573 5.010 0.329 0.080 N35 BL5 35 BL5 C41 C41 C 0 1 N N S -14.257 30.194 -13.162 5.461 -0.677 -0.885 C41 BL5 36 BL5 C40 C40 C 0 1 N N N -14.262 29.941 -11.652 6.044 0.021 -2.115 C40 BL5 37 BL5 C39 C39 C 0 1 N N N -13.197 28.935 -11.217 4.939 0.800 -2.831 C39 BL5 38 BL5 C38 C38 C 0 1 N N N -13.428 28.539 -9.749 5.522 1.498 -4.061 C38 BL5 39 BL5 C37 C37 C 0 1 N N N -12.185 27.914 -9.116 4.417 2.278 -4.777 C37 BL5 40 BL5 N36 N36 N 0 1 N N N -12.469 27.573 -7.713 4.977 2.948 -5.958 N36 BL5 41 BL5 C43 C43 C 0 1 N N N -15.364 31.201 -13.441 6.518 -1.543 -0.250 C43 BL5 42 BL5 O42 O42 O 0 1 N N N -15.127 32.401 -13.330 6.862 -1.339 0.896 O42 BL5 43 BL5 N44 N44 N 0 1 N N N -16.544 30.645 -13.785 7.083 -2.544 -0.954 N44 BL5 44 BL5 C45 C45 C 0 1 Y N N -17.697 31.302 -14.015 7.980 -3.418 -0.332 C45 BL5 45 BL5 C46 C46 C 0 1 Y N N -18.908 30.610 -13.937 9.049 -3.942 -1.046 C46 BL5 46 BL5 C47 C47 C 0 1 Y N N -20.121 31.255 -14.165 9.933 -4.806 -0.428 C47 BL5 47 BL5 C48 C48 C 0 1 Y N N -20.136 32.605 -14.505 9.754 -5.148 0.899 C48 BL5 48 BL5 C49 C49 C 0 1 Y N N -18.934 33.304 -14.594 8.689 -4.629 1.613 C49 BL5 49 BL5 C50 C50 C 0 1 Y N N -17.723 32.655 -14.352 7.806 -3.760 1.003 C50 BL5 50 BL5 H5 H5 H 0 1 N N N -9.665 35.401 -8.392 -7.947 -0.219 -3.174 H5 BL5 51 BL5 H4 H4 H 0 1 N N N -7.818 34.449 -7.018 -9.850 0.275 -4.654 H4 BL5 52 BL5 H3 H3 H 0 1 N N N -6.802 32.249 -7.636 -12.079 -0.635 -4.142 H3 BL5 53 BL5 H2 H2 H 0 1 N N N -7.649 31.019 -9.666 -12.410 -2.046 -2.153 H2 BL5 54 BL5 H1 H1 H 0 1 N N N -9.478 31.977 -11.030 -10.512 -2.551 -0.670 H1 BL5 55 BL5 HN7 HN7 H 0 1 N N N -10.853 35.301 -10.348 -7.971 -2.565 -0.543 HN7 BL5 56 BL5 H10 H10 H 0 1 N N N -12.406 35.713 -11.771 -5.315 -1.966 -0.461 H10 BL5 57 BL5 H111 1H11 H 0 0 N N N -13.511 34.279 -9.812 -6.697 -0.673 1.933 H111 BL5 58 BL5 H112 2H11 H 0 0 N N N -14.187 33.253 -10.991 -6.987 -2.339 1.377 H112 BL5 59 BL5 H121 1H12 H 0 0 N N N -15.564 35.156 -12.003 -4.586 -2.866 1.704 H121 BL5 60 BL5 H122 2H12 H 0 0 N N N -14.732 36.331 -11.126 -4.296 -1.200 2.260 H122 BL5 61 BL5 H131 1H13 H 0 0 N N N -15.777 35.756 -8.995 -5.887 -1.546 4.129 H131 BL5 62 BL5 H132 2H13 H 0 0 N N N -15.855 34.100 -9.330 -6.177 -3.212 3.574 H132 BL5 63 BL5 H141 1H14 H 0 0 N N N -18.065 34.312 -10.119 -3.777 -3.739 3.901 H141 BL5 64 BL5 H142 2H14 H 0 0 N N N -17.552 35.272 -11.411 -3.487 -2.073 4.456 H142 BL5 65 BL5 H151 1H15 H 0 0 N N N -17.529 37.256 -9.834 -3.783 -3.567 6.240 H151 BL5 66 BL5 H152 2H15 H 0 0 N N N -19.042 36.518 -9.973 -4.925 -2.418 6.226 H152 BL5 67 BL5 H16 H16 H 0 1 N N N -13.691 33.649 -13.543 -5.306 0.922 -0.029 H16 BL5 68 BL5 H19 H19 H 0 1 N N N -13.496 33.778 -15.639 -2.760 1.598 -0.598 H19 BL5 69 BL5 H201 1H20 H 0 0 N N N -14.240 35.816 -17.289 -2.978 1.451 2.441 H201 BL5 70 BL5 H202 2H20 H 0 0 N N N -13.712 36.891 -16.076 -4.198 2.202 1.385 H202 BL5 71 BL5 H211 1H21 H 0 0 N N N -15.391 35.747 -14.381 -2.419 3.720 0.478 H211 BL5 72 BL5 H212 2H21 H 0 0 N N N -15.941 34.742 -15.628 -1.268 3.016 1.640 H212 BL5 73 BL5 H221 1H22 H 0 0 N N N -16.808 36.672 -17.003 -2.721 3.738 3.516 H221 BL5 74 BL5 H222 2H22 H 0 0 N N N -15.890 37.816 -16.160 -3.871 4.441 2.354 H222 BL5 75 BL5 H231 1H23 H 0 0 N N N -17.218 37.249 -13.943 -0.951 5.263 2.686 H231 BL5 76 BL5 H232 2H23 H 0 0 N N N -18.277 37.865 -15.324 -2.101 5.966 1.524 H232 BL5 77 BL5 H233 3H23 H 0 0 N N N -18.136 36.105 -14.786 -2.359 6.179 3.272 H233 BL5 78 BL5 H241 1H24 H 0 0 N N N -11.265 35.730 -16.494 -1.192 0.138 1.573 H241 BL5 79 BL5 H242 2H24 H 0 0 N N N -12.360 35.253 -17.724 -1.007 -0.170 -0.170 H242 BL5 80 BL5 H25 H25 H 0 1 N N N -10.153 33.793 -16.959 -0.387 2.029 -0.488 H25 BL5 81 BL5 H26 H26 H 0 1 N N N -12.580 32.524 -16.048 1.013 0.901 1.667 H26 BL5 82 BL5 H271 1H27 H 0 0 N N N -9.731 31.657 -16.555 1.883 2.737 -0.419 H271 BL5 83 BL5 H272 2H27 H 0 0 N N N -11.089 30.832 -17.041 1.580 3.136 1.289 H272 BL5 84 BL5 H32 H32 H 0 1 N N N -10.651 31.543 -14.025 3.323 1.477 1.958 H32 BL5 85 BL5 H311 1H31 H 0 0 N N N -9.010 29.765 -15.506 5.282 2.780 1.079 H311 BL5 86 BL5 H312 2H31 H 0 0 N N N -10.149 28.686 -14.849 4.186 3.593 -0.064 H312 BL5 87 BL5 H301 1H30 H 0 0 N N N -8.921 28.755 -12.855 2.811 4.378 1.883 H301 BL5 88 BL5 H302 2H30 H 0 0 N N N -9.654 30.252 -12.534 4.010 3.655 2.982 H302 BL5 89 BL5 H291 1H29 H 0 0 N N N -7.711 31.506 -13.037 5.775 5.096 2.003 H291 BL5 90 BL5 H292 2H29 H 0 0 N N N -7.384 30.653 -14.471 4.576 5.819 0.905 H292 BL5 91 BL5 H281 1H28 H 0 0 N N N -6.492 28.634 -13.068 4.945 7.257 2.891 H281 BL5 92 BL5 H282 2H28 H 0 0 N N N -5.555 30.186 -12.769 3.279 6.632 2.856 H282 BL5 93 BL5 H283 3H28 H 0 0 N N N -6.819 29.487 -11.633 4.478 5.908 3.954 H283 BL5 94 BL5 H35 H35 H 0 1 N N N -12.436 31.457 -13.117 5.596 0.606 0.801 H35 BL5 95 BL5 H41 H41 H 0 1 N N N -14.447 29.266 -13.749 4.616 -1.297 -1.185 H41 BL5 96 BL5 H401 1H40 H 0 0 N N N -15.274 29.628 -11.303 6.831 0.708 -1.804 H401 BL5 97 BL5 H402 2H40 H 0 0 N N N -14.163 30.897 -11.086 6.460 -0.725 -2.793 H402 BL5 98 BL5 H391 1H39 H 0 0 N N N -12.163 29.315 -11.392 4.152 0.113 -3.141 H391 BL5 99 BL5 H392 2H39 H 0 0 N N N -13.158 28.047 -11.890 4.523 1.546 -2.153 H392 BL5 100 BL5 H381 1H38 H 0 0 N N N -14.313 27.868 -9.647 6.309 2.185 -3.750 H381 BL5 101 BL5 H382 2H38 H 0 0 N N N -13.793 29.406 -9.150 5.938 0.752 -4.739 H382 BL5 102 BL5 H371 1H37 H 0 0 N N N -11.286 28.566 -9.218 3.631 1.591 -5.088 H371 BL5 103 BL5 H372 2H37 H 0 0 N N N -11.812 27.038 -9.696 4.002 3.024 -4.099 H372 BL5 104 BL5 H361 1H36 H 0 0 N N N -13.291 26.976 -7.620 4.217 3.447 -6.396 H361 BL5 105 BL5 H362 2H36 H 0 0 N N N -11.639 27.156 -7.291 5.623 3.644 -5.618 H362 BL5 106 BL5 H44 H44 H 0 1 N N N -16.567 29.630 -13.880 6.867 -2.657 -1.893 H44 BL5 107 BL5 H46 H46 H 0 1 N N N -18.906 29.535 -13.691 9.190 -3.675 -2.083 H46 BL5 108 BL5 H47 H47 H 0 1 N N N -21.068 30.697 -14.076 10.765 -5.214 -0.983 H47 BL5 109 BL5 H48 H48 H 0 1 N N N -21.093 33.117 -14.702 10.446 -5.824 1.380 H48 BL5 110 BL5 H49 H49 H 0 1 N N N -18.941 34.375 -14.857 8.552 -4.899 2.649 H49 BL5 111 BL5 H50 H50 H 0 1 N N N -16.777 33.217 -14.428 6.974 -3.355 1.561 H50 BL5 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 BL5 C5 C4 DOUB Y N 1 BL5 C5 C6 SING Y N 2 BL5 C5 H5 SING N N 3 BL5 C4 C3 SING Y N 4 BL5 C4 H4 SING N N 5 BL5 C3 C2 DOUB Y N 6 BL5 C3 H3 SING N N 7 BL5 C2 C1 SING Y N 8 BL5 C2 H2 SING N N 9 BL5 C1 C6 DOUB Y N 10 BL5 C1 H1 SING N N 11 BL5 C6 N7 SING N N 12 BL5 N7 C8 SING N N 13 BL5 N7 HN7 SING N N 14 BL5 C8 O9 DOUB N N 15 BL5 C8 C10 SING N N 16 BL5 C10 C11 SING N N 17 BL5 C10 N16 SING N N 18 BL5 C10 H10 SING N N 19 BL5 C11 C12 SING N N 20 BL5 C11 H111 SING N N 21 BL5 C11 H112 SING N N 22 BL5 C12 C13 SING N N 23 BL5 C12 H121 SING N N 24 BL5 C12 H122 SING N N 25 BL5 C13 C14 SING N N 26 BL5 C13 H131 SING N N 27 BL5 C13 H132 SING N N 28 BL5 C14 N15 SING N N 29 BL5 C14 H141 SING N N 30 BL5 C14 H142 SING N N 31 BL5 N15 H151 SING N N 32 BL5 N15 H152 SING N N 33 BL5 N16 C17 SING N N 34 BL5 N16 H16 SING N N 35 BL5 C17 O18 DOUB N N 36 BL5 C17 C19 SING N N 37 BL5 C19 C20 SING N N 38 BL5 C19 C24 SING N N 39 BL5 C19 H19 SING N N 40 BL5 C20 C21 SING N N 41 BL5 C20 H201 SING N N 42 BL5 C20 H202 SING N N 43 BL5 C21 C22 SING N N 44 BL5 C21 H211 SING N N 45 BL5 C21 H212 SING N N 46 BL5 C22 C23 SING N N 47 BL5 C22 H221 SING N N 48 BL5 C22 H222 SING N N 49 BL5 C23 H231 SING N N 50 BL5 C23 H232 SING N N 51 BL5 C23 H233 SING N N 52 BL5 C24 N25 SING N N 53 BL5 C24 H241 SING N N 54 BL5 C24 H242 SING N N 55 BL5 N25 N26 SING N N 56 BL5 N25 H25 SING N N 57 BL5 N26 C27 SING N N 58 BL5 N26 H26 SING N N 59 BL5 C27 C32 SING N N 60 BL5 C27 H271 SING N N 61 BL5 C27 H272 SING N N 62 BL5 C32 C31 SING N N 63 BL5 C32 C34 SING N N 64 BL5 C32 H32 SING N N 65 BL5 C31 C30 SING N N 66 BL5 C31 H311 SING N N 67 BL5 C31 H312 SING N N 68 BL5 C30 C29 SING N N 69 BL5 C30 H301 SING N N 70 BL5 C30 H302 SING N N 71 BL5 C29 C28 SING N N 72 BL5 C29 H291 SING N N 73 BL5 C29 H292 SING N N 74 BL5 C28 H281 SING N N 75 BL5 C28 H282 SING N N 76 BL5 C28 H283 SING N N 77 BL5 C34 O33 DOUB N N 78 BL5 C34 N35 SING N N 79 BL5 N35 C41 SING N N 80 BL5 N35 H35 SING N N 81 BL5 C41 C40 SING N N 82 BL5 C41 C43 SING N N 83 BL5 C41 H41 SING N N 84 BL5 C40 C39 SING N N 85 BL5 C40 H401 SING N N 86 BL5 C40 H402 SING N N 87 BL5 C39 C38 SING N N 88 BL5 C39 H391 SING N N 89 BL5 C39 H392 SING N N 90 BL5 C38 C37 SING N N 91 BL5 C38 H381 SING N N 92 BL5 C38 H382 SING N N 93 BL5 C37 N36 SING N N 94 BL5 C37 H371 SING N N 95 BL5 C37 H372 SING N N 96 BL5 N36 H361 SING N N 97 BL5 N36 H362 SING N N 98 BL5 C43 O42 DOUB N N 99 BL5 C43 N44 SING N N 100 BL5 N44 C45 SING N N 101 BL5 N44 H44 SING N N 102 BL5 C45 C46 DOUB Y N 103 BL5 C45 C50 SING Y N 104 BL5 C46 C47 SING Y N 105 BL5 C46 H46 SING N N 106 BL5 C47 C48 DOUB Y N 107 BL5 C47 H47 SING N N 108 BL5 C48 C49 SING Y N 109 BL5 C48 H48 SING N N 110 BL5 C49 C50 DOUB Y N 111 BL5 C49 H49 SING N N 112 BL5 C50 H50 SING N N 113 # 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 BL5 SMILES ACDLabs 10.04 "O=C(Nc1ccccc1)C(NC(=O)C(CCCC)CNNCC(C(=O)NC(C(=O)Nc2ccccc2)CCCCN)CCCC)CCCCN" BL5 SMILES_CANONICAL CACTVS 3.341 "CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2" BL5 SMILES CACTVS 3.341 "CCCC[CH](CNNC[CH](CCCC)C(=O)N[CH](CCCCN)C(=O)Nc1ccccc1)C(=O)N[CH](CCCCN)C(=O)Nc2ccccc2" BL5 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2" BL5 SMILES "OpenEye OEToolkits" 1.5.0 "CCCCC(CNNCC(CCCC)C(=O)NC(CCCCN)C(=O)Nc1ccccc1)C(=O)NC(CCCCN)C(=O)Nc2ccccc2" BL5 InChI InChI 1.03 ;InChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30-,33-,34-/m0/s1 ; BL5 InChIKey InChI 1.03 YFMXWONORHSZEM-ANFUHZJESA-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 BL5 "SYSTEMATIC NAME" ACDLabs 10.04 ;(2S,2'S)-2,2'-(hydrazine-1,2-diylbis{methanediyl[(2S)-1-oxohexane-2,1-diyl]imino})bis(6-amino-N-phenylhexanamide) (non-preferred name) ; BL5 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-N-[(2S)-6-amino-1-oxo-1-phenylazanyl-hexan-2-yl]-2-[[2-[(2S)-2-[[(2S)-6-amino-1-oxo-1-phenylazanyl-hexan-2-yl]carbamoyl]hexyl]hydrazinyl]methyl]hexanamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site BL5 "Create component" 2003-12-02 RCSB BL5 "Modify descriptor" 2011-06-04 RCSB #