data_NHN
# 
_chem_comp.id                                    NHN 
_chem_comp.name                                  
(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H56 N6 O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-05-11 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        788.929 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NHN 
_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        2GVF 
_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 
NHN C1   C1   C 0 1 N N N 190.671 -10.766 48.136 -8.269  1.859  0.329  C1   NHN 1   
NHN C2   C2   C 0 1 N N N 190.034 -11.790 49.068 -8.766  1.256  1.643  C2   NHN 2   
NHN C3   C3   C 0 1 Y N N 189.802 -11.281 50.446 -9.126  -0.194 1.438  C3   NHN 3   
NHN C4   C4   C 0 1 Y N N 190.704 -11.561 51.466 -8.127  -1.127 1.241  C4   NHN 4   
NHN C5   C5   C 0 1 Y N N 188.700 -10.484 50.721 -10.451 -0.589 1.451  C5   NHN 5   
NHN C6   C6   C 0 1 Y N N 190.513 -11.070 52.759 -8.454  -2.464 1.058  C6   NHN 6   
NHN C7   C7   C 0 1 Y N N 188.485 -9.992  51.999 -10.779 -1.919 1.266  C7   NHN 7   
NHN C8   C8   C 0 1 Y N N 189.395 -10.282 53.007 -9.784  -2.858 1.071  C8   NHN 8   
NHN C9   C9   C 0 1 N N N 192.175 -10.720 48.373 -6.799  1.581  0.157  C9   NHN 9   
NHN O10  O10  O 0 1 N N N 192.797 -11.727 48.706 -6.255  0.717  0.810  O10  NHN 10  
NHN O11  O11  O 0 1 N N N 191.396 -11.327 53.835 -7.469  -3.382 0.867  O11  NHN 11  
NHN C12  C12  C 0 1 N N N 192.502 -12.127 53.468 -7.149  -3.367 -0.523 C12  NHN 12  
NHN C13  C13  C 0 1 N N N 193.499 -11.085 53.025 -5.675  -3.725 -0.721 C13  NHN 13  
NHN O14  O14  O 0 1 N N N 194.565 -11.755 52.453 -4.856  -2.663 -0.229 O14  NHN 14  
NHN N15  N15  N 0 1 N N N 192.762 -9.553  48.169 -6.090  2.317  -0.747 N15  NHN 15  
NHN C16  C16  C 0 1 N N S 194.206 -9.430  48.210 -4.669  1.936  -0.922 C16  NHN 16  
NHN C17  C17  C 0 1 N N N 194.735 -8.667  46.994 -4.063  1.551  0.429  C17  NHN 17  
NHN C18  C18  C 0 1 N N N 196.259 -8.535  47.051 -2.571  1.887  0.433  C18  NHN 18  
NHN C19  C19  C 0 1 N N N 194.375 -9.368  45.690 -4.765  2.331  1.543  C19  NHN 19  
NHN C20  C20  C 0 1 N N N 196.821 -7.779  45.865 -1.965  1.502  1.785  C20  NHN 20  
NHN C21  C21  C 0 1 N N N 194.880 -8.616  44.476 -4.160  1.946  2.894  C21  NHN 21  
NHN C22  C22  C 0 1 N N N 196.391 -8.431  44.551 -2.667  2.282  2.898  C22  NHN 22  
NHN C23  C23  C 0 1 N N N 194.641 -8.656  49.439 -4.620  0.757  -1.857 C23  NHN 23  
NHN O24  O24  O 0 1 N N N 194.317 -7.481  49.576 -5.312  0.763  -2.853 O24  NHN 24  
NHN N25  N25  N 0 1 N N N 195.316 -9.321  50.375 -3.832  -0.300 -1.615 N25  NHN 25  
NHN C26  C26  C 0 1 N N N 195.434 -10.780 50.492 -3.933  -1.640 -2.257 C26  NHN 26  
NHN C27  C27  C 0 1 N N S 195.782 -8.647  51.581 -2.697  -0.398 -0.677 C27  NHN 27  
NHN C28  C28  C 0 1 N N N 196.358 -9.780  52.408 -2.542  -1.885 -0.291 C28  NHN 28  
NHN C29  C29  C 0 1 N N R 195.486 -10.862 51.971 -3.691  -2.602 -1.053 C29  NHN 29  
NHN C30  C30  C 0 1 N N N 196.869 -7.669  51.183 -1.438  0.092  -1.343 C30  NHN 30  
NHN O31  O31  O 0 1 N N N 197.844 -8.043  50.524 -1.429  0.314  -2.535 O31  NHN 31  
NHN N32  N32  N 0 1 N N N 196.685 -6.411  51.572 -0.320  0.283  -0.615 N32  NHN 32  
NHN C33  C33  C 0 1 N N S 197.628 -5.341  51.261 0.877   0.846  -1.244 C33  NHN 33  
NHN C34  C34  C 0 1 N N N 196.953 -4.267  50.384 0.788   2.373  -1.236 C34  NHN 34  
NHN C35  C35  C 0 1 N N N 196.102 -4.834  49.243 -0.381  2.820  -2.117 C35  NHN 35  
NHN C36  C36  C 0 1 N N N 196.081 -4.039  47.992 -0.471  4.347  -2.109 C36  NHN 36  
NHN O37  O37  O 0 1 N N N 198.694 -5.864  53.418 1.982   -0.059 0.630  O37  NHN 37  
NHN C38  C38  C 0 1 N N N 198.322 -4.792  52.518 2.099   0.411  -0.477 C38  NHN 38  
NHN O39  O39  O 0 1 N N N 199.530 -2.809  51.675 3.571   1.032  -2.196 O39  NHN 39  
NHN N40  N40  N 0 1 N N N 200.626 -4.736  52.000 4.546   0.171  -0.398 N40  NHN 40  
NHN C41  C41  C 0 1 N N N 201.947 -4.192  51.762 5.876   0.318  -0.994 C41  NHN 41  
NHN C42  C42  C 0 1 N N N 202.226 -4.145  50.284 6.918   -0.188 -0.030 C42  NHN 42  
NHN O43  O43  O 0 1 N N N 201.358 -4.408  49.452 6.582   -0.628 1.049  O43  NHN 43  
NHN C44  C44  C 0 1 N N N 199.533 -3.993  52.021 3.453   0.560  -1.084 C44  NHN 44  
NHN N45  N45  N 0 1 N N N 203.456 -3.772  49.964 8.222   -0.152 -0.367 N45  NHN 45  
NHN C46  C46  C 0 1 N N S 203.936 -3.691  48.603 9.235   -0.643 0.571  C46  NHN 46  
NHN C47  C47  C 0 1 Y N N 203.727 -2.368  47.899 10.461  -1.071 -0.194 C47  NHN 47  
NHN C48  C48  C 0 1 Y N N 203.313 -2.368  46.582 10.976  -0.258 -1.186 C48  NHN 48  
NHN C49  C49  C 0 1 Y N N 203.999 -1.158  48.516 11.068  -2.280 0.094  C49  NHN 49  
NHN C50  C50  C 0 1 Y N N 203.176 -1.186  45.886 12.103  -0.649 -1.884 C50  NHN 50  
NHN C51  C51  C 0 1 Y N N 203.867 0.033   47.832 12.193  -2.672 -0.607 C51  NHN 51  
NHN C52  C52  C 0 1 Y N N 203.457 0.023   46.514 12.711  -1.857 -1.596 C52  NHN 52  
NHN C53  C53  C 0 1 N N N 205.453 -3.733  48.728 9.602   0.455  1.535  C53  NHN 53  
NHN O54  O54  O 0 1 N N N 206.020 -3.180  49.680 9.452   1.616  1.217  O54  NHN 54  
NHN N55  N55  N 0 1 N N N 206.133 -4.383  47.770 10.097  0.148  2.750  N55  NHN 55  
NHN C56  C56  C 0 1 N N N 207.531 -4.392  47.833 10.399  1.213  3.709  C56  NHN 56  
NHN C57  C57  C 0 1 N N N 205.475 -5.034  46.731 10.334  -1.252 3.111  C57  NHN 57  
NHN H11  1H1  H 0 1 N N N 190.476 -11.053 47.092 -8.434  2.936  0.341  H11  NHN 58  
NHN H12  2H1  H 0 1 N N N 190.240 -9.774  48.334 -8.820  1.419  -0.502 H12  NHN 59  
NHN H21  1H2  H 0 1 N N N 190.734 -12.635 49.148 -7.981  1.331  2.396  H21  NHN 60  
NHN H22  2H2  H 0 1 N N N 189.062 -12.080 48.643 -9.646  1.803  1.982  H22  NHN 61  
NHN H4   H4   H 0 1 N N N 191.570 -12.171 51.254 -7.092  -0.818 1.229  H4   NHN 62  
NHN H5   H5   H 0 1 N N N 188.003 -10.245 49.932 -11.230 0.142  1.605  H5   NHN 63  
NHN H7   H7   H 0 1 N N N 187.615 -9.387  52.209 -11.815 -2.226 1.276  H7   NHN 64  
NHN H8   H8   H 0 1 N N N 189.232 -9.889  54.000 -10.041 -3.897 0.928  H8   NHN 65  
NHN H121 1H12 H 0 0 N N N 192.271 -12.876 52.697 -7.771  -4.093 -1.046 H121 NHN 66  
NHN H122 2H12 H 0 0 N N N 192.877 -12.728 54.310 -7.338  -2.373 -0.927 H122 NHN 67  
NHN H131 1H13 H 0 0 N N N 193.834 -10.479 53.880 -5.448  -4.641 -0.177 H131 NHN 68  
NHN H132 2H13 H 0 0 N N N 193.039 -10.406 52.292 -5.477  -3.875 -1.782 H132 NHN 69  
NHN H15  H15  H 0 1 N N N 192.203 -8.745  47.984 -6.492  3.046  -1.244 H15  NHN 70  
NHN H16  H16  H 0 1 N N N 194.608 -10.454 48.224 -4.114  2.770  -1.351 H16  NHN 71  
NHN H17  H17  H 0 1 N N N 194.264 -7.673  47.021 -4.196  0.482  0.595  H17  NHN 72  
NHN H181 1H18 H 0 0 N N N 196.685 -9.549  47.035 -2.071  1.332  -0.360 H181 NHN 73  
NHN H182 2H18 H 0 0 N N N 196.528 -7.992  47.969 -2.439  2.956  0.267  H182 NHN 74  
NHN H191 1H19 H 0 0 N N N 193.278 -9.419  45.625 -4.633  3.400  1.377  H191 NHN 75  
NHN H192 2H19 H 0 0 N N N 194.829 -10.370 45.695 -5.828  2.091  1.540  H192 NHN 76  
NHN H201 1H20 H 0 0 N N N 197.919 -7.796  45.924 -2.097  0.433  1.951  H201 NHN 77  
NHN H202 2H20 H 0 0 N N N 196.449 -6.744  45.890 -0.902  1.742  1.788  H202 NHN 78  
NHN H211 1H21 H 0 0 N N N 194.402 -7.626  44.447 -4.292  0.877  3.060  H211 NHN 79  
NHN H212 2H21 H 0 0 N N N 194.632 -9.188  43.569 -4.659  2.502  3.688  H212 NHN 80  
NHN H221 1H22 H 0 0 N N N 196.861 -9.424  44.492 -2.236  2.008  3.861  H221 NHN 81  
NHN H222 2H22 H 0 0 N N N 196.709 -7.787  43.718 -2.535  3.351  2.732  H222 NHN 82  
NHN H261 1H26 H 0 0 N N N 196.279 -11.238 49.956 -3.162  -1.766 -3.016 H261 NHN 83  
NHN H262 2H26 H 0 0 N N N 194.587 -11.326 50.051 -4.925  -1.793 -2.683 H262 NHN 84  
NHN H27  H27  H 0 1 N N N 195.007 -8.085  52.123 -2.900  0.196  0.214  H27  NHN 85  
NHN H281 1H28 H 0 0 N N N 196.372 -9.603  53.494 -1.574  -2.264 -0.618 H281 NHN 86  
NHN H282 2H28 H 0 0 N N N 197.420 -9.971  52.193 -2.660  -2.014 0.784  H282 NHN 87  
NHN H29  H29  H 0 1 N N N 195.791 -11.274 52.944 -3.383  -3.581 -1.393 H29  NHN 88  
NHN H32  H32  H 0 1 N N N 195.866 -6.188  52.100 -0.308  0.048  0.326  H32  NHN 89  
NHN H33  H33  H 0 1 N N N 198.450 -5.758  50.660 0.948   0.491  -2.272 H33  NHN 90  
NHN H341 1H34 H 0 0 N N N 197.760 -3.680  49.920 1.716   2.794  -1.622 H341 NHN 91  
NHN H342 2H34 H 0 0 N N N 196.296 -3.666  51.030 0.627   2.722  -0.216 H342 NHN 92  
NHN H351 1H35 H 0 0 N N N 195.066 -4.839  49.614 -1.309  2.399  -1.731 H351 NHN 93  
NHN H352 2H35 H 0 0 N N N 196.506 -5.827  48.994 -0.221  2.470  -3.137 H352 NHN 94  
NHN H361 1H36 H 0 0 N N N 195.178 -4.287  47.416 0.458   4.768  -2.496 H361 NHN 95  
NHN H362 2H36 H 0 0 N N N 196.974 -4.273  47.394 -1.303  4.665  -2.737 H362 NHN 96  
NHN H363 3H36 H 0 0 N N N 196.076 -2.967  48.238 -0.631  4.696  -1.089 H363 NHN 97  
NHN H40  H40  H 0 1 N N N 200.537 -5.720  52.156 4.452   -0.207 0.491  H40  NHN 98  
NHN H411 1H41 H 0 0 N N N 202.695 -4.833  52.251 5.925   -0.259 -1.918 H411 NHN 99  
NHN H412 2H41 H 0 0 N N N 202.000 -3.174  52.174 6.062   1.369  -1.212 H412 NHN 100 
NHN H45  H45  H 0 1 N N N 204.086 -3.534  50.703 8.490   0.200  -1.230 H45  NHN 101 
NHN H46  H46  H 0 1 N N N 203.411 -4.480  48.045 8.836   -1.494 1.123  H46  NHN 102 
NHN H48  H48  H 0 1 N N N 203.094 -3.305  46.091 10.502  0.686  -1.411 H48  NHN 103 
NHN H49  H49  H 0 1 N N N 204.319 -1.147  49.547 10.663  -2.917 0.866  H49  NHN 104 
NHN H50  H50  H 0 1 N N N 202.851 -1.199  44.856 12.508  -0.012 -2.656 H50  NHN 105 
NHN H51  H51  H 0 1 N N N 204.084 0.969   48.326 12.667  -3.616 -0.382 H51  NHN 106 
NHN H52  H52  H 0 1 N N N 203.355 0.951   45.972 13.590  -2.164 -2.143 H52  NHN 107 
NHN H561 1H56 H 0 0 N N N 207.868 -5.293  48.367 10.160  2.180  3.266  H561 NHN 108 
NHN H562 2H56 H 0 0 N N N 207.880 -3.496  48.368 9.803   1.069  4.611  H562 NHN 109 
NHN H563 3H56 H 0 0 N N N 207.944 -4.394  46.814 11.458  1.182  3.965  H563 NHN 110 
NHN H571 1H57 H 0 0 N N N 205.965 -5.999  46.535 11.351  -1.532 2.836  H571 NHN 111 
NHN H572 2H57 H 0 0 N N N 205.515 -4.412  45.825 10.202  -1.377 4.186  H572 NHN 112 
NHN H573 3H57 H 0 0 N N N 204.425 -5.206  47.012 9.626   -1.889 2.582  H573 NHN 113 
# 
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 
NHN C1  C2   SING N N 1   
NHN C1  C9   SING N N 2   
NHN C1  H11  SING N N 3   
NHN C1  H12  SING N N 4   
NHN C2  C3   SING N N 5   
NHN C2  H21  SING N N 6   
NHN C2  H22  SING N N 7   
NHN C3  C4   SING Y N 8   
NHN C3  C5   DOUB Y N 9   
NHN C4  C6   DOUB Y N 10  
NHN C4  H4   SING N N 11  
NHN C5  C7   SING Y N 12  
NHN C5  H5   SING N N 13  
NHN C6  C8   SING Y N 14  
NHN C6  O11  SING N N 15  
NHN C7  C8   DOUB Y N 16  
NHN C7  H7   SING N N 17  
NHN C8  H8   SING N N 18  
NHN C9  O10  DOUB N N 19  
NHN C9  N15  SING N N 20  
NHN O11 C12  SING N N 21  
NHN C12 C13  SING N N 22  
NHN C12 H121 SING N N 23  
NHN C12 H122 SING N N 24  
NHN C13 O14  SING N N 25  
NHN C13 H131 SING N N 26  
NHN C13 H132 SING N N 27  
NHN O14 C29  SING N N 28  
NHN N15 C16  SING N N 29  
NHN N15 H15  SING N N 30  
NHN C16 C17  SING N N 31  
NHN C16 C23  SING N N 32  
NHN C16 H16  SING N N 33  
NHN C17 C18  SING N N 34  
NHN C17 C19  SING N N 35  
NHN C17 H17  SING N N 36  
NHN C18 C20  SING N N 37  
NHN C18 H181 SING N N 38  
NHN C18 H182 SING N N 39  
NHN C19 C21  SING N N 40  
NHN C19 H191 SING N N 41  
NHN C19 H192 SING N N 42  
NHN C20 C22  SING N N 43  
NHN C20 H201 SING N N 44  
NHN C20 H202 SING N N 45  
NHN C21 C22  SING N N 46  
NHN C21 H211 SING N N 47  
NHN C21 H212 SING N N 48  
NHN C22 H221 SING N N 49  
NHN C22 H222 SING N N 50  
NHN C23 O24  DOUB N N 51  
NHN C23 N25  SING N N 52  
NHN N25 C26  SING N N 53  
NHN N25 C27  SING N N 54  
NHN C26 C29  SING N N 55  
NHN C26 H261 SING N N 56  
NHN C26 H262 SING N N 57  
NHN C27 C28  SING N N 58  
NHN C27 C30  SING N N 59  
NHN C27 H27  SING N N 60  
NHN C28 C29  SING N N 61  
NHN C28 H281 SING N N 62  
NHN C28 H282 SING N N 63  
NHN C29 H29  SING N N 64  
NHN C30 O31  DOUB N N 65  
NHN C30 N32  SING N N 66  
NHN N32 C33  SING N N 67  
NHN N32 H32  SING N N 68  
NHN C33 C34  SING N N 69  
NHN C33 C38  SING N N 70  
NHN C33 H33  SING N N 71  
NHN C34 C35  SING N N 72  
NHN C34 H341 SING N N 73  
NHN C34 H342 SING N N 74  
NHN C35 C36  SING N N 75  
NHN C35 H351 SING N N 76  
NHN C35 H352 SING N N 77  
NHN C36 H361 SING N N 78  
NHN C36 H362 SING N N 79  
NHN C36 H363 SING N N 80  
NHN O37 C38  DOUB N N 81  
NHN C38 C44  SING N N 82  
NHN O39 C44  DOUB N N 83  
NHN N40 C41  SING N N 84  
NHN N40 C44  SING N N 85  
NHN N40 H40  SING N N 86  
NHN C41 C42  SING N N 87  
NHN C41 H411 SING N N 88  
NHN C41 H412 SING N N 89  
NHN C42 O43  DOUB N N 90  
NHN C42 N45  SING N N 91  
NHN N45 C46  SING N N 92  
NHN N45 H45  SING N N 93  
NHN C46 C47  SING N N 94  
NHN C46 C53  SING N N 95  
NHN C46 H46  SING N N 96  
NHN C47 C48  SING Y N 97  
NHN C47 C49  DOUB Y N 98  
NHN C48 C50  DOUB Y N 99  
NHN C48 H48  SING N N 100 
NHN C49 C51  SING Y N 101 
NHN C49 H49  SING N N 102 
NHN C50 C52  SING Y N 103 
NHN C50 H50  SING N N 104 
NHN C51 C52  DOUB Y N 105 
NHN C51 H51  SING N N 106 
NHN C52 H52  SING N N 107 
NHN C53 O54  DOUB N N 108 
NHN C53 N55  SING N N 109 
NHN N55 C56  SING N N 110 
NHN N55 C57  SING N N 111 
NHN C56 H561 SING N N 112 
NHN C56 H562 SING N N 113 
NHN C56 H563 SING N N 114 
NHN C57 H571 SING N N 115 
NHN C57 H572 SING N N 116 
NHN C57 H573 SING N N 117 
# 
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 
NHN SMILES           ACDLabs              10.04 O=C(N(C)C)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C2N3C(=O)C(NC(=O)CCc4cccc(OCCOC(C2)C3)c4)C5CCCCC5)CCC 
NHN InChI            InChI                1.02b 
;InChI=1/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1/f/h43-46H
;
NHN InChIKey         InChI                1.02b RJPSYFVTRHPRGV-VITBLINBDZ 
NHN SMILES_CANONICAL CACTVS               3.341 CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)CCc3cccc(OCCO2)c3)C4CCCCC4)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c5ccccc5 
NHN SMILES           CACTVS               3.341 CCC[CH](NC(=O)[CH]1C[CH]2CN1C(=O)[CH](NC(=O)CCc3cccc(OCCO2)c3)C4CCCCC4)C(=O)C(=O)NCC(=O)N[CH](C(=O)N(C)C)c5ccccc5 
NHN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5 
NHN SMILES           "OpenEye OEToolkits" 1.5.0 CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)N(C)C)NC(=O)C2CC3CN2C(=O)C(NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5 
# 
_pdbx_chem_comp_identifier.comp_id           NHN 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   10.04 
_pdbx_chem_comp_identifier.identifier        
(6R,8S,11S)-11-cyclohexyl-N-[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide 
# 
