data_C35
# 
_chem_comp.id                                    C35 
_chem_comp.name                                  "N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H51 Cl F N11 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-05-31 
_chem_comp.pdbx_modified_date                    2011-06-04 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        784.323 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     C35 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "Corina V3.40" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_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 
C35 C37  C37  C  0 1 Y N N 36.142 21.296 -5.488 -9.831  -0.142 -0.546 C37  C35 1   
C35 C36  C36  C  0 1 Y N N 35.478 21.469 -6.697 -11.195 -0.238 -0.739 C36  C35 2   
C35 C35  C35  C  0 1 Y N N 34.124 21.158 -6.788 -11.881 -1.355 -0.296 C35  C35 3   
C35 CL   CL   CL 0 0 N N N 33.305 21.352 -8.286 -13.596 -1.472 -0.541 CL   C35 4   
C35 C34  C34  C  0 1 Y N N 33.395 20.656 -5.718 -11.203 -2.379 0.342  C34  C35 5   
C35 C33  C33  C  0 1 Y N N 34.067 20.470 -4.521 -9.839  -2.288 0.537  C33  C35 6   
C35 C32  C32  C  0 1 Y N N 35.424 20.764 -4.425 -9.148  -1.169 0.094  C32  C35 7   
C35 N10  N10  N  0 1 Y N N 35.981 20.635 -3.236 -7.764  -1.074 0.291  N10  C35 8   
C35 N9   N9   N  0 1 Y N N 36.704 21.498 -2.735 -6.923  -0.526 -0.518 N9   C35 9   
C35 C30  C30  C  0 1 Y N N 35.722 19.635 -2.398 -7.086  -1.537 1.362  C30  C35 10  
C35 C31  C31  C  0 1 N N N 34.858 18.404 -2.713 -7.680  -2.244 2.553  C31  C35 11  
C35 N11  N11  N  0 1 Y N N 36.375 19.908 -1.276 -5.820  -1.261 1.178  N11  C35 12  
C35 C29  C29  C  0 1 Y N N 36.995 21.071 -1.508 -5.716  -0.625 -0.003 C29  C35 13  
C35 C28  C28  C  0 1 N N N 37.889 21.881 -0.565 -4.467  -0.124 -0.614 C28  C35 14  
C35 O5   O5   O  0 1 N N N 38.093 23.076 -0.806 -4.501  0.440  -1.690 O5   C35 15  
C35 N8   N8   N  0 1 N N N 38.372 21.251 0.514  -3.291  -0.292 0.023  N8   C35 16  
C35 C23  C23  C  0 1 N N S 39.217 21.994 1.460  -2.053  0.205  -0.583 C23  C35 17  
C35 C24  C24  C  0 1 N N N 39.739 21.043 2.543  -1.868  1.681  -0.226 C24  C35 18  
C35 C25  C25  C  0 1 N N N 39.803 21.686 3.934  -2.989  2.505  -0.863 C25  C35 19  
C35 C26  C26  C  0 1 N N N 41.224 21.592 4.492  -2.803  3.981  -0.506 C26  C35 20  
C35 N5   N5   N  0 1 N N N 41.540 20.215 4.933  -3.877  4.769  -1.116 N5   C35 21  
C35 C27  C27  C  0 1 N N N 41.729 19.959 6.232  -4.705  5.437  -0.362 C27  C35 22  
C35 N6   N6   N  0 1 N N N 42.004 18.726 6.651  -4.493  5.510  0.994  N6   C35 23  
C35 N7   N7   N  0 1 N N N 41.616 20.940 7.127  -5.790  6.067  -0.923 N7   C35 24  
C35 C22  C22  C  0 1 N N N 40.402 22.566 0.678  -0.884  -0.589 -0.059 C22  C35 25  
C35 O4   O4   O  0 1 N N N 41.147 21.811 0.056  -1.067  -1.482 0.741  O4   C35 26  
C35 N4   N4   N  0 1 N N N 40.559 23.888 0.720  0.365   -0.306 -0.480 N4   C35 27  
C35 C17  C17  C  0 1 N N S 41.675 24.578 0.056  1.511   -1.002 0.110  C17  C35 28  
C35 C18  C18  C  0 1 N N N 41.235 25.990 -0.373 1.780   -2.292 -0.668 C18  C35 29  
C35 C19  C19  C  0 1 N N N 40.267 25.917 -1.572 2.965   -3.029 -0.041 C19  C35 30  
C35 C20  C20  C  0 1 N N N 39.701 27.291 -1.948 2.588   -3.498 1.366  C20  C35 31  
C35 C21  C21  C  0 1 N N N 40.867 25.241 -2.805 3.327   -4.240 -0.902 C21  C35 32  
C35 C16  C16  C  0 1 N N N 42.788 24.746 1.084  2.727   -0.113 0.044  C16  C35 33  
C35 O3   O3   O  0 1 N N N 42.573 25.493 2.033  2.751   0.825  -0.724 O3   C35 34  
C35 N3   N3   N  0 1 N N N 43.932 24.066 0.922  3.786   -0.361 0.839  N3   C35 35  
C35 C11  C11  C  0 1 N N S 45.021 24.230 1.913  4.923   0.563  0.854  C11  C35 36  
C35 C12  C12  C  0 1 N N S 45.891 22.988 2.212  4.675   1.659  1.893  C12  C35 37  
C35 C15  C15  C  0 1 N N N 47.356 23.401 2.457  4.659   1.040  3.293  C15  C35 38  
C35 C13  C13  C  0 1 N N N 45.398 22.232 3.459  5.791   2.702  1.810  C13  C35 39  
C35 C14  C14  C  0 1 N N N 44.512 21.037 3.089  5.703   3.437  0.471  C14  C35 40  
C35 C10  C10  C  0 1 N N N 45.894 25.313 1.319  6.179   -0.190 1.208  C10  C35 41  
C35 O2   O2   O  0 1 N N N 46.408 25.094 0.225  6.105   -1.268 1.759  O2   C35 42  
C35 N2   N2   N  0 1 N N N 45.974 26.442 2.022  7.385   0.334  0.911  N2   C35 43  
C35 C8   C8   C  0 1 N N S 46.707 27.620 1.536  8.601   -0.447 1.149  C8   C35 44  
C35 C9   C9   C  0 1 N N N 48.178 27.594 1.936  9.038   -0.274 2.581  C9   C35 45  
C35 O1   O1   O  0 1 N N N 49.040 27.657 1.059  8.397   0.433  3.329  O1   C35 46  
C35 N1   N1   N  0 1 N N N 48.441 27.566 3.244  10.142  -0.904 3.030  N1   C35 47  
C35 C7   C7   C  0 1 N N N 46.080 28.907 2.076  9.711   0.039  0.215  C7   C35 48  
C35 C6   C6   C  0 1 Y N N 44.756 29.187 1.376  9.326   -0.247 -1.214 C6   C35 49  
C35 C5   C5   C  0 1 Y N N 43.535 29.155 2.042  8.619   0.693  -1.941 C5   C35 50  
C35 C4   C4   C  0 1 Y N N 42.379 29.409 1.302  8.265   0.431  -3.250 C4   C35 51  
C35 C1   C1   C  0 1 Y N N 42.437 29.707 -0.062 8.619   -0.773 -3.835 C1   C35 52  
C35 F1   F1   F  0 1 N N N 41.337 29.933 -0.810 8.274   -1.030 -5.116 F1   C35 53  
C35 C2   C2   C  0 1 Y N N 43.658 29.716 -0.715 9.327   -1.714 -3.107 C2   C35 54  
C35 C3   C3   C  0 1 Y N N 44.807 29.421 0.006  9.684   -1.448 -1.799 C3   C35 55  
C35 H37  H37  H  0 1 N N N 37.182 21.566 -5.379 -9.295  0.728  -0.896 H37  C35 56  
C35 H36  H36  H  0 1 N N N 36.009 21.842 -7.560 -11.727 0.560  -1.236 H36  C35 57  
C35 H34  H34  H  0 1 N N N 32.346 20.420 -5.815 -11.741 -3.250 0.687  H34  C35 58  
C35 H33  H33  H  0 1 N N N 33.536 20.095 -3.659 -9.310  -3.088 1.035  H33  C35 59  
C35 H311 1H31 H  0 0 N N N 34.652 18.367 -3.793 -7.694  -3.318 2.368  H311 C35 60  
C35 H312 2H31 H  0 0 N N N 35.395 17.493 -2.411 -7.077  -2.035 3.437  H312 C35 61  
C35 H313 3H31 H  0 0 N N N 33.909 18.471 -2.161 -8.698  -1.889 2.716  H313 C35 62  
C35 H8   H8   H  0 1 N N N 38.160 20.287 0.674  -3.264  -0.742 0.881  H8   C35 63  
C35 H23  H23  H  0 1 N N N 38.640 22.798 1.939  -2.109  0.098  -1.666 H23  C35 64  
C35 H241 1H24 H  0 0 N N N 39.063 20.177 2.595  -1.900  1.800  0.858  H241 C35 65  
C35 H242 2H24 H  0 0 N N N 40.765 20.760 2.265  -0.905  2.028  -0.600 H242 C35 66  
C35 H251 1H25 H  0 0 N N N 39.512 22.744 3.858  -2.956  2.386  -1.946 H251 C35 67  
C35 H252 2H25 H  0 0 N N N 39.115 21.155 4.608  -3.952  2.158  -0.488 H252 C35 68  
C35 H261 1H26 H  0 0 N N N 41.935 21.885 3.705  -2.836  4.100  0.577  H261 C35 69  
C35 H262 2H26 H  0 0 N N N 41.301 22.262 5.361  -1.840  4.327  -0.880 H262 C35 70  
C35 H6N1 1H6N H  0 0 N N N 42.116 18.707 7.645  -3.674  5.157  1.377  H6N1 C35 71  
C35 H6N2 2H6N H  0 0 N N N 42.088 17.928 6.054  -5.162  5.914  1.569  H6N2 C35 72  
C35 H7N1 1H7N H  0 0 N N N 41.398 21.806 6.677  -5.939  6.016  -1.880 H7N1 C35 73  
C35 H7N2 2H7N H  0 0 N N N 41.733 20.826 8.114  -6.406  6.564  -0.362 H7N2 C35 74  
C35 H4   H4   H  0 1 N N N 39.890 24.434 1.224  0.505   0.358  -1.173 H4   C35 75  
C35 H17  H17  H  0 1 N N N 42.001 24.000 -0.822 1.294   -1.244 1.150  H17  C35 76  
C35 H181 1H18 H  0 0 N N N 40.727 26.480 0.470  0.896   -2.929 -0.632 H181 C35 77  
C35 H182 2H18 H  0 0 N N N 42.125 26.564 -0.670 2.011   -2.049 -1.705 H182 C35 78  
C35 H19  H19  H  0 1 N N N 39.441 25.280 -1.223 3.821   -2.356 0.018  H19  C35 79  
C35 H201 1H20 H  0 0 N N N 39.565 27.894 -1.038 3.454   -3.961 1.839  H201 C35 80  
C35 H202 2H20 H  0 0 N N N 40.400 27.803 -2.626 2.263   -2.643 1.959  H202 C35 81  
C35 H203 3H20 H  0 0 N N N 38.731 27.163 -2.450 1.777   -4.223 1.301  H203 C35 82  
C35 H211 1H21 H  0 0 N N N 41.011 25.988 -3.600 3.596   -3.906 -1.904 H211 C35 83  
C35 H212 2H21 H  0 0 N N N 41.837 24.794 -2.542 4.172   -4.765 -0.455 H212 C35 84  
C35 H213 3H21 H  0 0 N N N 40.185 24.455 -3.160 2.471   -4.913 -0.961 H213 C35 85  
C35 H3   H3   H  0 1 N N N 44.049 23.454 0.140  3.797   -1.152 1.401  H3   C35 86  
C35 H11  H11  H  0 1 N N N 44.566 24.453 2.889  5.036   1.016  -0.131 H11  C35 87  
C35 H12  H12  H  0 1 N N N 45.815 22.331 1.333  3.715   2.136  1.696  H12  C35 88  
C35 H151 1H15 H  0 0 N N N 47.876 23.499 1.493  5.588   0.493  3.459  H151 C35 89  
C35 H152 2H15 H  0 0 N N N 47.381 24.365 2.987  4.563   1.829  4.038  H152 C35 90  
C35 H153 3H15 H  0 0 N N N 47.856 22.634 3.066  3.815   0.355  3.377  H153 C35 91  
C35 H131 1H13 H  0 0 N N N 46.272 21.863 4.016  5.681   3.418  2.625  H131 C35 92  
C35 H132 2H13 H  0 0 N N N 44.800 22.927 4.067  6.759   2.207  1.890  H132 C35 93  
C35 H141 1H14 H  0 0 N N N 44.300 21.057 2.010  6.438   4.241  0.449  H141 C35 94  
C35 H142 2H14 H  0 0 N N N 45.033 20.102 3.342  5.906   2.738  -0.340 H142 C35 95  
C35 H143 3H14 H  0 0 N N N 43.567 21.094 3.649  4.704   3.855  0.351  H143 C35 96  
C35 H2   H2   H  0 1 N N N 45.519 26.490 2.911  7.448   1.228  0.541  H2   C35 97  
C35 HA   HA   H  0 1 N N N 46.642 27.594 0.438  8.400   -1.501 0.956  HA   C35 98  
C35 H7C1 1H7C H  0 0 N N N 45.901 28.796 3.156  9.851   1.112  0.345  H7C1 C35 99  
C35 H7C2 2H7C H  0 0 N N N 46.767 29.745 1.889  10.639  -0.480 0.452  H7C2 C35 100 
C35 H1N1 1H1N H  0 0 N N N 47.582 27.545 3.756  10.655  -1.469 2.432  H1N1 C35 101 
C35 H1N2 2H1N H  0 0 N N N 49.355 27.566 3.650  10.423  -0.792 3.951  H1N2 C35 102 
C35 H5   H5   H  0 1 N N N 43.483 28.940 3.099  8.343   1.632  -1.484 H5   C35 103 
C35 HB   HB   H  0 1 N N N 45.757 29.372 -0.506 10.241  -2.179 -1.232 HB   C35 104 
C35 HC   HC   H  0 1 N N N 41.418 29.374 1.795  7.712   1.165  -3.818 HC   C35 105 
C35 HD   HD   H  0 1 N N N 43.715 29.949 -1.768 9.603   -2.653 -3.562 HD   C35 106 
# 
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 
C35 C37 C36  SING Y N 1   
C35 C37 C32  DOUB Y N 2   
C35 C37 H37  SING N N 3   
C35 C36 C35  DOUB Y N 4   
C35 C36 H36  SING N N 5   
C35 C35 CL   SING N N 6   
C35 C35 C34  SING Y N 7   
C35 C34 C33  DOUB Y N 8   
C35 C34 H34  SING N N 9   
C35 C33 C32  SING Y N 10  
C35 C33 H33  SING N N 11  
C35 C32 N10  SING Y N 12  
C35 N10 N9   SING Y N 13  
C35 N10 C30  SING Y N 14  
C35 N9  C29  DOUB Y N 15  
C35 C30 C31  SING N N 16  
C35 C30 N11  DOUB Y N 17  
C35 C31 H311 SING N N 18  
C35 C31 H312 SING N N 19  
C35 C31 H313 SING N N 20  
C35 N11 C29  SING Y N 21  
C35 C29 C28  SING N N 22  
C35 C28 O5   DOUB N N 23  
C35 C28 N8   SING N N 24  
C35 N8  C23  SING N N 25  
C35 N8  H8   SING N N 26  
C35 C23 C24  SING N N 27  
C35 C23 C22  SING N N 28  
C35 C23 H23  SING N N 29  
C35 C24 C25  SING N N 30  
C35 C24 H241 SING N N 31  
C35 C24 H242 SING N N 32  
C35 C25 C26  SING N N 33  
C35 C25 H251 SING N N 34  
C35 C25 H252 SING N N 35  
C35 C26 N5   SING N N 36  
C35 C26 H261 SING N N 37  
C35 C26 H262 SING N N 38  
C35 N5  C27  DOUB N N 39  
C35 C27 N6   SING N N 40  
C35 C27 N7   SING N N 41  
C35 N6  H6N1 SING N N 42  
C35 N6  H6N2 SING N N 43  
C35 N7  H7N1 SING N N 44  
C35 N7  H7N2 SING N N 45  
C35 C22 O4   DOUB N N 46  
C35 C22 N4   SING N N 47  
C35 N4  C17  SING N N 48  
C35 N4  H4   SING N N 49  
C35 C17 C18  SING N N 50  
C35 C17 C16  SING N N 51  
C35 C17 H17  SING N N 52  
C35 C18 C19  SING N N 53  
C35 C18 H181 SING N N 54  
C35 C18 H182 SING N N 55  
C35 C19 C20  SING N N 56  
C35 C19 C21  SING N N 57  
C35 C19 H19  SING N N 58  
C35 C20 H201 SING N N 59  
C35 C20 H202 SING N N 60  
C35 C20 H203 SING N N 61  
C35 C21 H211 SING N N 62  
C35 C21 H212 SING N N 63  
C35 C21 H213 SING N N 64  
C35 C16 O3   DOUB N N 65  
C35 C16 N3   SING N N 66  
C35 N3  C11  SING N N 67  
C35 N3  H3   SING N N 68  
C35 C11 C12  SING N N 69  
C35 C11 C10  SING N N 70  
C35 C11 H11  SING N N 71  
C35 C12 C15  SING N N 72  
C35 C12 C13  SING N N 73  
C35 C12 H12  SING N N 74  
C35 C15 H151 SING N N 75  
C35 C15 H152 SING N N 76  
C35 C15 H153 SING N N 77  
C35 C13 C14  SING N N 78  
C35 C13 H131 SING N N 79  
C35 C13 H132 SING N N 80  
C35 C14 H141 SING N N 81  
C35 C14 H142 SING N N 82  
C35 C14 H143 SING N N 83  
C35 C10 O2   DOUB N N 84  
C35 C10 N2   SING N N 85  
C35 N2  C8   SING N N 86  
C35 N2  H2   SING N N 87  
C35 C8  C9   SING N N 88  
C35 C8  C7   SING N N 89  
C35 C8  HA   SING N N 90  
C35 C9  O1   DOUB N N 91  
C35 C9  N1   SING N N 92  
C35 N1  H1N1 SING N N 93  
C35 N1  H1N2 SING N N 94  
C35 C7  C6   SING N N 95  
C35 C7  H7C1 SING N N 96  
C35 C7  H7C2 SING N N 97  
C35 C6  C5   SING Y N 98  
C35 C6  C3   DOUB Y N 99  
C35 C5  C4   DOUB Y N 100 
C35 C5  H5   SING N N 101 
C35 C4  C1   SING Y N 102 
C35 C4  HC   SING N N 103 
C35 C1  F1   SING N N 104 
C35 C1  C2   DOUB Y N 105 
C35 C2  C3   SING Y N 106 
C35 C2  HD   SING N N 107 
C35 C3  HB   SING N N 108 
# 
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 
C35 SMILES           ACDLabs              10.04 "Fc1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c2nc(n(n2)c3ccc(Cl)cc3)C)CCC/N=C(\N)N)CC(C)C)C(C)CC" 
C35 SMILES_CANONICAL CACTVS               3.341 "CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1nn(c(C)n1)c2ccc(Cl)cc2)C(=O)N[C@@H](Cc3ccc(F)cc3)C(N)=O" 
C35 SMILES           CACTVS               3.341 "CC[CH](C)[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](CCCN=C(N)N)NC(=O)c1nn(c(C)n1)c2ccc(Cl)cc2)C(=O)N[CH](Cc3ccc(F)cc3)C(N)=O" 
C35 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C" 
C35 SMILES           "OpenEye OEToolkits" 1.5.0 "CCC(C)C(C(=O)NC(Cc1ccc(cc1)F)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C" 
C35 InChI            InChI                1.03  
;InChI=1S/C37H51ClFN11O5/c1-6-21(4)30(35(54)46-28(31(40)51)19-23-9-13-25(39)14-10-23)48-34(53)29(18-20(2)3)47-33(52)27(8-7-17-43-37(41)42)45-36(55)32-44-22(5)50(49-32)26-15-11-24(38)12-16-26/h9-16,20-21,27-30H,6-8,17-19H2,1-5H3,(H2,40,51)(H,45,55)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,43)/t21-,27-,28-,29-,30-/m0/s1
;
C35 InChIKey         InChI                1.03  KPJZLROHGAJEAN-WRTIUAHLSA-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 
C35 "SYSTEMATIC NAME" ACDLabs              10.04 "N~2~-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl]carbonyl}-N~5~-(diaminomethylidene)-L-ornithyl-L-leucyl-L-isoleucyl-4-fluoro-L-phenylalaninamide" 
C35 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(4-fluorophenyl)-1-oxo-propan-2-yl]amino]-3-methyl-1-oxo-pentan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
;
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
C35 "Create component"     2007-05-31 RCSB 
C35 "Modify aromatic_flag" 2011-06-04 RCSB 
C35 "Modify descriptor"    2011-06-04 RCSB 
# 
