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                    2008-10-14 
_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 InChI            InChI                1.02b 
;InChI=1/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/f/h43-46H
;
BL5 InChIKey         InChI                1.02b YFMXWONORHSZEM-BJXUTVSKDX 
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 
# 
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 
# 
