data_FNH
# 
_chem_comp.id                                    FNH 
_chem_comp.name                                  "(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C41 H55 N5 O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-07-27 
_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                        745.904 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     FNH 
_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        2A4Q 
_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 
FNH C1   C1   C 0 1 N N N 192.986 -10.828 49.013 7.589   -0.316 0.073  C1   FNH 1   
FNH O2   O2   O 0 1 N N N 193.724 -11.462 49.783 7.404   0.330  -0.937 O2   FNH 2   
FNH C3   C3   C 0 1 N N N 191.509 -11.200 48.863 8.670   0.079  1.046  C3   FNH 3   
FNH C4   C4   C 0 1 N N N 190.558 -10.097 49.293 9.324   1.381  0.581  C4   FNH 4   
FNH C5   C5   C 0 1 N N N 189.782 -10.507 50.534 8.840   2.537  1.459  C5   FNH 5   
FNH C6   C6   C 0 1 N N N 190.719 -10.879 51.682 8.355   3.684  0.570  C6   FNH 6   
FNH C7   C7   C 0 1 N N N 190.019 -10.826 53.047 7.156   4.369  1.229  C7   FNH 7   
FNH C8   C8   C 0 1 N N N 191.022 -10.999 54.196 5.988   4.415  0.242  C8   FNH 8   
FNH C9   C9   C 0 1 N N N 192.207 -10.087 53.958 4.769   5.039  0.922  C9   FNH 9   
FNH N10  N10  N 0 1 N N N 193.409 -9.789  48.294 6.823   -1.410 0.344  N10  FNH 10  
FNH C11  C11  C 0 1 N N S 194.801 -9.341  48.313 5.775   -1.735 -0.645 C11  FNH 11  
FNH C12  C12  C 0 1 N N N 195.116 -8.443  47.079 5.524   -3.244 -0.652 C12  FNH 12  
FNH C13  C13  C 0 1 N N N 196.603 -8.067  47.037 6.816   -3.974 -1.022 C13  FNH 13  
FNH C17  C17  C 0 1 N N N 194.768 -9.163  45.766 5.067   -3.691 0.739  C17  FNH 14  
FNH C14  C14  C 0 1 N N N 196.981 -7.248  45.806 6.566   -5.483 -1.028 C14  FNH 15  
FNH C16  C16  C 0 1 N N N 195.112 -8.357  44.516 4.816   -5.200 0.732  C16  FNH 16  
FNH C15  C15  C 0 1 N N N 196.592 -7.979  44.516 6.108   -5.930 0.362  C15  FNH 17  
FNH C18  C18  C 0 1 N N N 195.173 -8.560  49.568 4.510   -1.010 -0.263 C18  FNH 18  
FNH O19  O19  O 0 1 N N N 194.756 -7.409  49.727 4.107   -1.059 0.880  O19  FNH 19  
FNH N20  N20  N 0 1 N N N 195.949 -9.175  50.458 3.825   -0.309 -1.187 N20  FNH 20  
FNH C21  C21  C 0 1 N N S 196.383 -8.481  51.670 2.611   0.418  -0.804 C21  FNH 21  
FNH C22  C22  C 0 1 N N N 196.930 -9.468  52.715 2.378   1.571  -1.783 C22  FNH 22  
FNH C23  C23  C 0 1 Y N N 195.882 -10.376 53.288 2.368   2.877  -1.032 C23  FNH 23  
FNH C24  C24  C 0 1 Y N N 194.590 -9.927  53.455 3.522   3.338  -0.427 C24  FNH 24  
FNH C28  C28  C 0 1 Y N N 196.156 -11.715 53.553 1.202   3.617  -0.949 C28  FNH 25  
FNH C27  C27  C 0 1 Y N N 195.134 -12.581 53.963 1.191   4.815  -0.261 C27  FNH 26  
FNH C26  C26  C 0 1 Y N N 193.828 -12.098 54.105 2.346   5.275  0.344  C26  FNH 27  
FNH C25  C25  C 0 1 Y N N 193.571 -10.758 53.856 3.511   4.537  0.261  C25  FNH 28  
FNH C29  C29  C 0 1 N N N 197.455 -7.479  51.249 1.432   -0.519 -0.841 C29  FNH 29  
FNH O30  O30  O 0 1 N N N 198.518 -7.859  50.748 1.494   -1.546 -1.482 O30  FNH 30  
FNH N31  N31  N 0 1 N N N 197.150 -6.196  51.411 0.308   -0.214 -0.163 N31  FNH 31  
FNH C32  C32  C 0 1 N N S 198.085 -5.140  51.029 -0.839  -1.125 -0.199 C32  FNH 32  
FNH C33  C33  C 0 1 N N N 197.430 -4.165  50.033 -0.664  -2.209 0.867  C33  FNH 33  
FNH C34  C34  C 0 1 N N N 196.250 -4.739  49.241 0.550   -3.073 0.521  C34  FNH 34  
FNH C35  C35  C 0 1 N N N 196.240 -4.328  47.779 0.726   -4.156 1.587  C35  FNH 35  
FNH O36  O36  O 0 1 N N N 199.633 -5.424  52.916 -2.042  0.761  0.540  O36  FNH 36  
FNH C37  C37  C 0 1 N N N 198.847 -4.436  52.225 -2.103  -0.352 0.074  C37  FNH 37  
FNH O38  O38  O 0 1 N N N 199.552 -2.509  51.050 -3.491  -2.079 -0.699 O38  FNH 38  
FNH N39  N39  N 0 1 N N N 201.235 -3.843  51.684 -4.561  -0.269 0.013  N39  FNH 39  
FNH C40  C40  C 0 1 N N N 201.903 -4.774  50.785 -5.864  -0.867 -0.286 C40  FNH 40  
FNH C41  C41  C 0 1 N N N 202.795 -4.182  49.713 -6.958  0.105  0.076  C41  FNH 41  
FNH O42  O42  O 0 1 N N N 202.493 -4.297  48.526 -6.676  1.190  0.538  O42  FNH 42  
FNH C43  C43  C 0 1 N N N 199.944 -3.527  51.605 -3.430  -0.960 -0.231 C43  FNH 43  
FNH N44  N44  N 0 1 N N N 203.882 -3.538  50.140 -8.249  -0.232 -0.115 N44  FNH 44  
FNH C45  C45  C 0 1 N N R 204.879 -2.911  49.262 -9.312  0.712  0.237  C45  FNH 45  
FNH C46  C46  C 0 1 Y N N 204.466 -2.155  47.931 -10.583 -0.045 0.523  C46  FNH 46  
FNH C47  C47  C 0 1 Y N N 204.265 -2.660  46.609 -10.934 -1.127 -0.263 C47  FNH 47  
FNH C51  C51  C 0 1 Y N N 204.331 -0.752  48.075 -11.399 0.344  1.568  C51  FNH 48  
FNH C48  C48  C 0 1 Y N N 203.956 -1.841  45.511 -12.098 -1.825 0.002  C48  FNH 49  
FNH C50  C50  C 0 1 Y N N 204.024 0.086   46.996 -12.565 -0.351 1.831  C50  FNH 50  
FNH C49  C49  C 0 1 Y N N 203.838 -0.464  45.714 -12.914 -1.435 1.048  C49  FNH 51  
FNH C52  C52  C 0 1 N N N 206.076 -3.821  48.968 -9.541  1.662  -0.910 C52  FNH 52  
FNH O53  O53  O 0 1 N N N 205.915 -4.937  48.453 -8.883  1.560  -1.919 O53  FNH 53  
FNH O54  O54  O 0 1 N N N 207.221 -3.449  49.256 -10.475 2.621  -0.812 O54  FNH 54  
FNH H31A 1H3  H 0 0 N N N 191.323 -12.063 49.519 9.422   -0.709 1.093  H31A FNH 55  
FNH H32A 2H3  H 0 0 N N N 191.318 -11.422 47.803 8.234   0.224  2.034  H32A FNH 56  
FNH H41  1H4  H 0 1 N N N 189.845 -9.907  48.477 9.052   1.574  -0.456 H41  FNH 57  
FNH H42  2H4  H 0 1 N N N 191.138 -9.190  49.516 10.408  1.292  0.663  H42  FNH 58  
FNH H51A 1H5  H 0 0 N N N 189.172 -11.388 50.286 9.661   2.886  2.086  H51A FNH 59  
FNH H52  2H5  H 0 1 N N N 189.150 -9.665  50.851 8.021   2.195  2.091  H52  FNH 60  
FNH H61  1H6  H 0 1 N N N 191.542 -10.149 51.696 8.058   3.289  -0.402 H61  FNH 61  
FNH H62  2H6  H 0 1 N N N 191.085 -11.903 51.516 9.159   4.407  0.438  H62  FNH 62  
FNH H71  1H7  H 0 1 N N N 189.289 -11.647 53.096 7.430   5.384  1.516  H71  FNH 63  
FNH H72  2H7  H 0 1 N N N 189.521 -9.851  53.154 6.860   3.808  2.116  H72  FNH 64  
FNH H81  1H8  H 0 1 N N N 191.361 -12.045 54.239 5.745   3.402  -0.081 H81  FNH 65  
FNH H82  2H8  H 0 1 N N N 190.540 -10.737 55.150 6.268   5.015  -0.624 H82  FNH 66  
FNH H91  1H9  H 0 1 N N N 192.263 -9.438  54.844 4.818   6.124  0.832  H91  FNH 67  
FNH H92  2H9  H 0 1 N N N 192.029 -9.565  53.006 4.760   4.763  1.977  H92  FNH 68  
FNH H10  H10  H 0 1 N N N 192.752 -9.299  47.722 6.959   -1.946 1.142  H10  FNH 69  
FNH H11  H11  H 0 1 N N N 195.398 -10.265 48.291 6.095   -1.413 -1.636 H11  FNH 70  
FNH H12  H12  H 0 1 N N N 194.502 -7.536  47.181 4.750   -3.481 -1.382 H12  FNH 71  
FNH H131 1H13 H 0 0 N N N 197.178 -9.004  46.999 7.142   -3.656 -2.013 H131 FNH 72  
FNH H132 2H13 H 0 0 N N N 196.833 -7.470  47.932 7.590   -3.737 -0.292 H132 FNH 73  
FNH H171 1H17 H 0 0 N N N 193.679 -9.321  45.761 5.840   -3.454 1.469  H171 FNH 74  
FNH H172 2H17 H 0 0 N N N 195.335 -10.105 45.732 4.146   -3.170 1.003  H172 FNH 75  
FNH H141 1H14 H 0 0 N N N 198.070 -7.096  45.807 5.792   -5.720 -1.759 H141 FNH 76  
FNH H142 2H14 H 0 0 N N N 196.453 -6.284  45.843 7.486   -6.004 -1.293 H142 FNH 77  
FNH H161 1H16 H 0 0 N N N 194.509 -7.437  44.507 4.042   -5.437 0.002  H161 FNH 78  
FNH H162 2H16 H 0 0 N N N 194.894 -8.963  43.624 4.490   -5.518 1.723  H162 FNH 79  
FNH H151 1H15 H 0 0 N N N 197.187 -8.902  44.446 5.930   -7.005 0.357  H151 FNH 80  
FNH H152 2H15 H 0 0 N N N 196.790 -7.318  43.659 6.882   -5.693 1.092  H152 FNH 81  
FNH H20  H20  H 0 1 N N N 196.237 -10.119 50.297 4.134   -0.285 -2.106 H20  FNH 82  
FNH H21  H21  H 0 1 N N N 195.534 -7.968  52.144 2.728   0.816  0.204  H21  FNH 83  
FNH H221 1H22 H 0 0 N N N 197.333 -8.871  53.546 3.178   1.585  -2.524 H221 FNH 84  
FNH H222 2H22 H 0 0 N N N 197.695 -10.092 52.229 1.421   1.433  -2.285 H222 FNH 85  
FNH H24  H24  H 0 1 N N N 194.370 -8.887  53.264 4.433   2.762  -0.493 H24  FNH 86  
FNH H28  H28  H 0 1 N N N 197.163 -12.089 53.442 0.300   3.257  -1.422 H28  FNH 87  
FNH H27  H27  H 0 1 N N N 195.353 -13.618 54.169 0.281   5.392  -0.197 H27  FNH 88  
FNH H26  H26  H 0 1 N N N 193.030 -12.761 54.405 2.337   6.212  0.882  H26  FNH 89  
FNH H31  H31  H 0 1 N N N 196.264 -5.948  51.802 0.258   0.608  0.350  H31  FNH 90  
FNH H32  H32  H 0 1 N N N 198.911 -5.643  50.505 -0.903  -1.590 -1.183 H32  FNH 91  
FNH H331 1H33 H 0 0 N N N 198.204 -3.911  49.294 -1.557  -2.833 0.901  H331 FNH 92  
FNH H332 2H33 H 0 0 N N N 197.059 -3.303  50.606 -0.511  -1.740 1.839  H332 FNH 93  
FNH H341 1H34 H 0 0 N N N 195.330 -4.342  49.696 1.443   -2.448 0.488  H341 FNH 94  
FNH H342 2H34 H 0 0 N N N 196.309 -5.836  49.287 0.398   -3.541 -0.451 H342 FNH 95  
FNH H351 1H35 H 0 0 N N N 195.339 -4.730  47.292 0.878   -3.688 2.559  H351 FNH 96  
FNH H352 2H35 H 0 0 N N N 197.136 -4.726  47.280 -0.167  -4.781 1.621  H352 FNH 97  
FNH H353 3H35 H 0 0 N N N 196.238 -3.230  47.706 1.591   -4.772 1.341  H353 FNH 98  
FNH H39  H39  H 0 1 N N N 201.780 -3.415  52.405 -4.512  0.625  0.387  H39  FNH 99  
FNH H401 1H40 H 0 0 N N N 201.093 -5.279  50.239 -5.922  -1.099 -1.350 H401 FNH 100 
FNH H402 2H40 H 0 0 N N N 202.536 -5.423  51.408 -5.985  -1.783 0.292  H402 FNH 101 
FNH H44  H44  H 0 1 N N N 204.029 -3.478  51.127 -8.474  -1.100 -0.485 H44  FNH 102 
FNH H45  H45  H 0 1 N N N 205.122 -2.072  49.931 -9.018  1.277  1.122  H45  FNH 103 
FNH H47  H47  H 0 1 N N N 204.355 -3.724  46.447 -10.297 -1.431 -1.080 H47  FNH 104 
FNH H51  H51  H 0 1 N N N 204.470 -0.313  49.052 -11.127 1.192  2.180  H51  FNH 105 
FNH H48  H48  H 0 1 N N N 203.812 -2.267  44.529 -12.370 -2.672 -0.609 H48  FNH 106 
FNH H50  H50  H 0 1 N N N 203.930 1.151   47.147 -13.203 -0.047 2.648  H50  FNH 107 
FNH H49  H49  H 0 1 N N N 203.602 0.183   44.882 -13.825 -1.979 1.253  H49  FNH 108 
FNH H54  H54  H 0 1 N N N 207.843 -4.127  49.020 -10.622 3.230  -1.549 H54  FNH 109 
# 
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 
FNH C1  O2   DOUB N N 1   
FNH C1  C3   SING N N 2   
FNH C1  N10  SING N N 3   
FNH C3  C4   SING N N 4   
FNH C3  H31A SING N N 5   
FNH C3  H32A SING N N 6   
FNH C4  C5   SING N N 7   
FNH C4  H41  SING N N 8   
FNH C4  H42  SING N N 9   
FNH C5  C6   SING N N 10  
FNH C5  H51A SING N N 11  
FNH C5  H52  SING N N 12  
FNH C6  C7   SING N N 13  
FNH C6  H61  SING N N 14  
FNH C6  H62  SING N N 15  
FNH C7  C8   SING N N 16  
FNH C7  H71  SING N N 17  
FNH C7  H72  SING N N 18  
FNH C8  C9   SING N N 19  
FNH C8  H81  SING N N 20  
FNH C8  H82  SING N N 21  
FNH C9  C25  SING N N 22  
FNH C9  H91  SING N N 23  
FNH C9  H92  SING N N 24  
FNH N10 C11  SING N N 25  
FNH N10 H10  SING N N 26  
FNH C11 C12  SING N N 27  
FNH C11 C18  SING N N 28  
FNH C11 H11  SING N N 29  
FNH C12 C13  SING N N 30  
FNH C12 C17  SING N N 31  
FNH C12 H12  SING N N 32  
FNH C13 C14  SING N N 33  
FNH C13 H131 SING N N 34  
FNH C13 H132 SING N N 35  
FNH C17 C16  SING N N 36  
FNH C17 H171 SING N N 37  
FNH C17 H172 SING N N 38  
FNH C14 C15  SING N N 39  
FNH C14 H141 SING N N 40  
FNH C14 H142 SING N N 41  
FNH C16 C15  SING N N 42  
FNH C16 H161 SING N N 43  
FNH C16 H162 SING N N 44  
FNH C15 H151 SING N N 45  
FNH C15 H152 SING N N 46  
FNH C18 O19  DOUB N N 47  
FNH C18 N20  SING N N 48  
FNH N20 C21  SING N N 49  
FNH N20 H20  SING N N 50  
FNH C21 C22  SING N N 51  
FNH C21 C29  SING N N 52  
FNH C21 H21  SING N N 53  
FNH C22 C23  SING N N 54  
FNH C22 H221 SING N N 55  
FNH C22 H222 SING N N 56  
FNH C23 C24  SING Y N 57  
FNH C23 C28  DOUB Y N 58  
FNH C24 C25  DOUB Y N 59  
FNH C24 H24  SING N N 60  
FNH C28 C27  SING Y N 61  
FNH C28 H28  SING N N 62  
FNH C27 C26  DOUB Y N 63  
FNH C27 H27  SING N N 64  
FNH C26 C25  SING Y N 65  
FNH C26 H26  SING N N 66  
FNH C29 O30  DOUB N N 67  
FNH C29 N31  SING N N 68  
FNH N31 C32  SING N N 69  
FNH N31 H31  SING N N 70  
FNH C32 C33  SING N N 71  
FNH C32 C37  SING N N 72  
FNH C32 H32  SING N N 73  
FNH C33 C34  SING N N 74  
FNH C33 H331 SING N N 75  
FNH C33 H332 SING N N 76  
FNH C34 C35  SING N N 77  
FNH C34 H341 SING N N 78  
FNH C34 H342 SING N N 79  
FNH C35 H351 SING N N 80  
FNH C35 H352 SING N N 81  
FNH C35 H353 SING N N 82  
FNH O36 C37  DOUB N N 83  
FNH C37 C43  SING N N 84  
FNH O38 C43  DOUB N N 85  
FNH N39 C40  SING N N 86  
FNH N39 C43  SING N N 87  
FNH N39 H39  SING N N 88  
FNH C40 C41  SING N N 89  
FNH C40 H401 SING N N 90  
FNH C40 H402 SING N N 91  
FNH C41 O42  DOUB N N 92  
FNH C41 N44  SING N N 93  
FNH N44 C45  SING N N 94  
FNH N44 H44  SING N N 95  
FNH C45 C46  SING N N 96  
FNH C45 C52  SING N N 97  
FNH C45 H45  SING N N 98  
FNH C46 C47  SING Y N 99  
FNH C46 C51  DOUB Y N 100 
FNH C47 C48  DOUB Y N 101 
FNH C47 H47  SING N N 102 
FNH C51 C50  SING Y N 103 
FNH C51 H51  SING N N 104 
FNH C48 C49  SING Y N 105 
FNH C48 H48  SING N N 106 
FNH C50 C49  DOUB Y N 107 
FNH C50 H50  SING N N 108 
FNH C49 H49  SING N N 109 
FNH C52 O53  DOUB N N 110 
FNH C52 O54  SING N N 111 
FNH O54 H54  SING N N 112 
# 
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 
FNH SMILES           ACDLabs              10.04 O=C(O)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C3NC(=O)C(NC(=O)CCCCCCCc2cccc(c2)C3)C4CCCCC4)CCC 
FNH InChI            InChI                1.02b 
;InChI=1/C41H55N5O8/c1-2-15-31(37(49)40(52)42-26-34(48)46-36(41(53)54)30-21-11-7-12-22-30)43-38(50)32-25-28-18-14-17-27(24-28)16-8-4-3-5-13-23-33(47)45-35(39(51)44-32)29-19-9-6-10-20-29/h7,11-12,14,17-18,21-22,24,29,31-32,35-36H,2-6,8-10,13,15-16,19-20,23,25-26H2,1H3,(H,42,52)(H,43,50)(H,44,51)(H,45,47)(H,46,48)(H,53,54)/t31-,32-,35-,36+/m0/s1/f/h42-46,53H
;
FNH InChIKey         InChI                1.02b MRGBFMHIJSOQIX-ARFWARBLDH 
FNH SMILES_CANONICAL CACTVS               3.341 CCC[C@H](NC(=O)[C@@H]1Cc2cccc(CCCCCCCC(=O)N[C@@H](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[C@@H](C(O)=O)c4ccccc4 
FNH SMILES           CACTVS               3.341 CCC[CH](NC(=O)[CH]1Cc2cccc(CCCCCCCC(=O)N[CH](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[CH](C(O)=O)c4ccccc4 
FNH SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3cccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCCC4 
FNH SMILES           "OpenEye OEToolkits" 1.5.0 CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)NC(=O)C2Cc3cccc(c3)CCCCCCCC(=O)NC(C(=O)N2)C4CCCCC4 
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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 
FNH "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-({N-[(3S)-3-({[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid"               
FNH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R)-2-[2-[[(3S)-3-[[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-3-yl]carbonylamino]-2-oxo-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid" 
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