data_LP1
# 
_chem_comp.id                                    LP1 
_chem_comp.name                                  "4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C45 H58 N6 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                         1NI 
_chem_comp.formula_weight                        794.978 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LP1 
_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        1ODY 
_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 
LP1 C1   C1   C 0 1 N N N -12.268 12.010 36.860 3.183  -2.373 9.053  C1   LP1 1   
LP1 C2   C2   C 0 1 N N N -11.893 12.101 35.362 2.339  -1.496 8.165  C2   LP1 2   
LP1 C7   C7   C 0 1 Y N N -14.012 11.239 32.426 -0.921 -0.409 8.694  C7   LP1 3   
LP1 C8   C8   C 0 1 Y N N -15.204 11.048 33.132 -0.328 -0.668 9.892  C8   LP1 4   
LP1 C9   C9   C 0 1 Y N N -15.701 9.763  33.362 -1.076 -1.110 10.982 C9   LP1 5   
LP1 C10  C10  C 0 1 Y N N -15.042 8.628  32.868 -2.420 -1.294 10.881 C10  LP1 6   
LP1 C11  C11  C 0 1 Y N N -13.355 10.117 31.928 -2.308 -0.583 8.553  C11  LP1 7   
LP1 C12  C12  C 0 1 Y N N -13.845 8.808  32.153 -3.067 -1.037 9.660  C12  LP1 8   
LP1 C13  C13  C 0 1 Y N N -12.196 10.258 31.177 -2.954 -0.331 7.331  C13  LP1 9   
LP1 C14  C14  C 0 1 Y N N -13.180 7.687  31.649 -4.454 -1.216 9.517  C14  LP1 10  
LP1 C15  C15  C 0 1 Y N N -11.553 9.120  30.697 -4.298 -0.516 7.229  C15  LP1 11  
LP1 C16  C16  C 0 1 Y N N -12.012 7.848  30.932 -5.046 -0.957 8.320  C16  LP1 12  
LP1 C20  C20  C 0 1 N N S -10.189 15.512 31.726 1.443  0.056  3.244  C20  LP1 13  
LP1 C21  C21  C 0 1 N N N -10.069 15.420 30.240 0.599  0.933  2.356  C21  LP1 14  
LP1 C24  C24  C 0 1 N N N -8.352  17.097 32.100 0.749  -1.865 1.807  C24  LP1 15  
LP1 N26  N26  N 0 1 N N N -10.724 16.243 29.430 1.185  1.720  1.432  N26  LP1 16  
LP1 C27  C27  C 0 1 N N S -10.593 15.996 27.999 0.379  2.667  0.657  C27  LP1 17  
LP1 C30  C30  C 0 1 N N N -13.833 13.928 28.655 0.234  5.452  3.306  C30  LP1 18  
LP1 C31  C31  C 0 1 N N N -12.043 12.632 27.660 -1.585 3.911  2.560  C31  LP1 19  
LP1 C32  C32  C 0 1 N N S -10.251 17.257 27.147 0.853  2.669  -0.796 C32  LP1 20  
LP1 C33  C33  C 0 1 N N N -8.770  17.384 26.754 0.698  1.265  -1.385 C33  LP1 21  
LP1 C35  C35  C 0 1 N N N -8.267  16.533 25.588 1.165  1.268  -2.818 C35  LP1 22  
LP1 O3   O3   O 0 1 N N N -10.884 11.510 34.973 2.664  -0.344 7.964  O3   LP1 23  
LP1 N4   N4   N 0 1 N N N -12.733 12.862 34.634 1.224  -1.991 7.593  N4   LP1 24  
LP1 C5   C5   C 0 1 N N S -12.449 13.065 33.238 0.403  -1.138 6.729  C5   LP1 25  
LP1 C6   C6   C 0 1 N N N -13.540 12.639 32.251 -0.094 0.067  7.528  C6   LP1 26  
LP1 C17  C17  C 0 1 N N N -11.966 14.457 32.910 1.230  -0.662 5.563  C17  LP1 27  
LP1 O18  O18  O 0 1 N N N -12.355 15.588 33.112 2.426  -0.508 5.690  O18  LP1 28  
LP1 N19  N19  N 0 1 N N N -10.822 14.329 32.239 0.639  -0.406 4.378  N19  LP1 29  
LP1 O22  O22  O 0 1 N N N -9.354  14.553 29.800 -0.608 0.931  2.472  O22  LP1 30  
LP1 C23  C23  C 0 1 N N N -8.863  15.734 32.487 1.941  -1.149 2.446  C23  LP1 31  
LP1 C25  C25  C 0 1 N N N -9.153  15.694 33.962 2.898  -0.675 1.350  C25  LP1 32  
LP1 C28  C28  C 0 1 N N N -11.903 15.232 27.608 0.533  4.070  1.246  C28  LP1 33  
LP1 C29  C29  C 0 1 N N N -12.363 13.944 28.332 -0.070 4.103  2.652  C29  LP1 34  
LP1 O34  O34  O 0 1 N N N -10.659 18.465 27.734 2.227  3.059  -0.849 O34  LP1 35  
LP1 O36  O36  O 0 1 N N N -7.915  15.353 25.656 1.581  2.291  -3.319 O36  LP1 36  
LP1 N37  N37  N 0 1 N N N -8.186  17.086 24.375 1.121  0.132  -3.543 N37  LP1 37  
LP1 C38  C38  C 0 1 N N S -7.692  16.495 23.167 1.575  0.135  -4.936 C38  LP1 38  
LP1 C39  C39  C 0 1 N N N -8.797  15.835 22.293 3.069  -0.193 -4.986 C39  LP1 39  
LP1 C40  C40  C 0 1 N N N -9.817  15.086 23.117 3.849  0.857  -4.194 C40  LP1 40  
LP1 C41  C41  C 0 1 N N N -6.895  17.491 22.341 0.807  -0.899 -5.717 C41  LP1 41  
LP1 O42  O42  O 0 1 N N N -7.300  18.631 22.000 -0.036 -1.573 -5.164 O42  LP1 42  
LP1 N43  N43  N 0 1 N N N -5.704  17.010 21.917 1.057  -1.077 -7.029 N43  LP1 43  
LP1 C44  C44  C 0 1 N N S -4.810  17.808 21.103 0.310  -2.083 -7.788 C44  LP1 44  
LP1 C45  C45  C 0 1 N N N -3.872  18.720 21.946 0.185  -1.634 -9.245 C45  LP1 45  
LP1 C46  C46  C 0 1 Y N N -3.271  17.890 23.097 -0.543 -0.317 -9.304 C46  LP1 46  
LP1 C47  C47  C 0 1 Y N N -2.182  17.064 22.805 0.151  0.852  -9.243 C47  LP1 47  
LP1 C48  C48  C 0 1 Y N N -1.658  16.220 23.791 -0.505 2.079  -9.296 C48  LP1 48  
LP1 C49  C49  C 0 1 Y N N -2.182  16.212 25.073 -1.860 2.145  -9.412 C49  LP1 49  
LP1 C50  C50  C 0 1 Y N N -3.838  17.870 24.391 -1.942 -0.289 -9.429 C50  LP1 50  
LP1 C51  C51  C 0 1 Y N N -3.262  17.034 25.414 -2.610 0.959  -9.479 C51  LP1 51  
LP1 C52  C52  C 0 1 Y N N -4.916  18.686 24.744 -2.693 -1.475 -9.490 C52  LP1 52  
LP1 C53  C53  C 0 1 Y N N -3.804  17.055 26.707 -4.011 0.987  -9.598 C53  LP1 53  
LP1 C54  C54  C 0 1 Y N N -5.427  18.683 26.050 -4.047 -1.409 -9.605 C54  LP1 54  
LP1 C55  C55  C 0 1 Y N N -4.899  17.869 27.019 -4.704 -0.181 -9.659 C55  LP1 55  
LP1 C56  C56  C 0 1 N N N -4.298  16.985 19.973 1.039  -3.401 -7.728 C56  LP1 56  
LP1 O57  O57  O 0 1 N N N -4.063  15.762 20.071 0.417  -4.441 -7.783 O57  LP1 57  
LP1 N58  N58  N 0 1 N N N -4.118  17.521 18.780 2.382  -3.423 -7.614 N58  LP1 58  
LP1 H11  1H1  H 0 1 N N N -13.180 12.544 37.212 3.538  -3.232 8.484  H11  LP1 59  
LP1 H12  2H1  H 0 1 N N N -12.341 10.936 37.150 4.037  -1.803 9.421  H12  LP1 60  
LP1 H13A 3H1  H 0 0 N N N -11.396 12.338 37.472 2.586  -2.718 9.897  H13A LP1 61  
LP1 H8   H8   H 0 1 N N N -15.759 11.921 33.512 0.737  -0.530 9.999  H8   LP1 62  
LP1 H9   H9   H 0 1 N N N -16.630 9.642  33.944 -0.581 -1.309 11.921 H9   LP1 63  
LP1 H10  H10  H 0 1 N N N -15.454 7.619  33.037 -2.987 -1.637 11.734 H10  LP1 64  
LP1 H13  H13  H 0 1 N N N -11.791 11.261 30.964 -2.387 0.010  6.477  H13  LP1 65  
LP1 H14  H14  H 0 1 N N N -13.578 6.672  31.817 -5.046 -1.558 10.353 H14  LP1 66  
LP1 H15  H15  H 0 1 N N N -10.632 9.231  30.099 -4.793 -0.318 6.290  H15  LP1 67  
LP1 H16  H16  H 0 1 N N N -11.454 6.974  30.553 -6.112 -1.096 8.212  H16  LP1 68  
LP1 H20  H20  H 0 1 N N N -10.802 16.425 31.904 2.296  0.626  3.612  H20  LP1 69  
LP1 H241 1H24 H 0 0 N N N -7.395  17.257 32.649 1.104  -2.725 1.238  H241 LP1 70  
LP1 H242 2H24 H 0 0 N N N -8.250  17.229 30.997 0.068  -2.203 2.588  H242 LP1 71  
LP1 H243 3H24 H 0 0 N N N -9.096  17.908 32.273 0.227  -1.179 1.141  H243 LP1 72  
LP1 HNQ  HNQ  H 0 1 N N N -11.271 16.987 29.862 2.141  1.660  1.281  HNQ  LP1 73  
LP1 H27  H27  H 0 1 N N N -9.697  15.375 27.763 -0.668 2.369  0.698  H27  LP1 74  
LP1 H301 1H30 H 0 0 N N N -14.069 14.897 29.151 -0.196 5.475  4.308  H301 LP1 75  
LP1 H302 2H30 H 0 0 N N N -14.474 13.723 27.765 1.313  5.588  3.372  H302 LP1 76  
LP1 H303 3H30 H 0 0 N N N -14.138 13.041 29.258 -0.197 6.253  2.706  H303 LP1 77  
LP1 H311 1H31 H 0 0 N N N -10.954 12.643 27.420 -2.029 4.762  2.043  H311 LP1 78  
LP1 H312 2H31 H 0 0 N N N -12.348 11.745 28.263 -1.803 2.997  2.008  H312 LP1 79  
LP1 H313 3H31 H 0 0 N N N -12.684 12.427 26.770 -2.004 3.838  3.564  H313 LP1 80  
LP1 H32  H32  H 0 1 N N N -10.844 17.080 26.219 0.253  3.373  -1.373 H32  LP1 81  
LP1 H331 1H33 H 0 0 N N N -8.533  18.455 26.555 -0.349 0.968  -1.345 H331 LP1 82  
LP1 H332 2H33 H 0 0 N N N -8.134  17.191 27.649 1.298  0.561  -0.809 H332 LP1 83  
LP1 HN4  HN4  H 0 1 N N N -13.539 13.262 35.113 0.964  -2.912 7.753  HN4  LP1 84  
LP1 H5   H5   H 0 1 N N N -11.608 12.348 33.083 -0.449 -1.708 6.361  H5   LP1 85  
LP1 H61  1H6  H 0 1 N N N -13.203 12.808 31.201 0.758  0.637  7.896  H61  LP1 86  
LP1 H62  2H6  H 0 1 N N N -14.399 13.347 32.291 -0.705 0.701  6.885  H62  LP1 87  
LP1 HNJ  HNJ  H 0 1 N N N -10.453 13.384 32.125 -0.317 -0.529 4.277  HNJ  LP1 88  
LP1 H23  H23  H 0 1 N N N -8.106  14.953 32.241 2.463  -1.835 3.112  H23  LP1 89  
LP1 H251 1H25 H 0 0 N N N -8.196  15.854 34.511 2.362  -0.030 0.653  H251 LP1 90  
LP1 H252 2H25 H 0 0 N N N -9.947  16.416 34.263 3.720  -0.118 1.801  H252 LP1 91  
LP1 H253 3H25 H 0 0 N N N -9.674  14.758 34.271 3.294  -1.538 0.815  H253 LP1 92  
LP1 H281 1H28 H 0 0 N N N -12.744 15.962 27.653 1.591  4.328  1.300  H281 LP1 93  
LP1 H282 2H28 H 0 0 N N N -11.846 15.003 26.518 0.016  4.790  0.612  H282 LP1 94  
LP1 H29  H29  H 0 1 N N N -11.744 14.007 29.257 0.361  3.302  3.252  H29  LP1 95  
LP1 HOY  HOY  H 0 1 N N N -10.450 19.233 27.215 2.721  2.412  -0.328 HOY  LP1 96  
LP1 HN7  HN7  H 0 1 N N N -8.532  18.045 24.370 0.789  -0.685 -3.143 HN7  LP1 97  
LP1 H38  H38  H 0 1 N N N -7.015  15.674 23.501 1.405  1.119  -5.372 H38  LP1 98  
LP1 H391 1H39 H 0 0 N N N -9.288  16.587 21.633 3.406  -0.191 -6.023 H391 LP1 99  
LP1 H392 2H39 H 0 0 N N N -8.350  15.176 21.512 3.239  -1.177 -4.550 H392 LP1 100 
LP1 H401 1H40 H 0 0 N N N -10.608 14.613 22.490 4.913  0.623  -4.230 H401 LP1 101 
LP1 H402 2H40 H 0 0 N N N -9.325  14.333 23.776 3.679  1.841  -4.630 H402 LP1 102 
LP1 H403 3H40 H 0 0 N N N -10.263 15.744 23.897 3.511  0.855  -3.158 H403 LP1 103 
LP1 HN3  HN3  H 0 1 N N N -5.482  16.057 22.207 1.732  -0.539 -7.471 HN3  LP1 104 
LP1 H44  H44  H 0 1 N N N -5.332  18.628 20.557 -0.684 -2.198 -7.357 H44  LP1 105 
LP1 H451 1H45 H 0 0 N N N -3.089  19.214 21.324 1.180  -1.519 -9.676 H451 LP1 106 
LP1 H452 2H45 H 0 0 N N N -4.387  19.639 22.309 -0.370 -2.383 -9.810 H452 LP1 107 
LP1 H47  H47  H 0 1 N N N -1.736  17.078 21.796 1.226  0.828  -9.151 H47  LP1 108 
LP1 H48  H48  H 0 1 N N N -0.816  15.548 23.553 0.068  2.993  -9.245 H48  LP1 109 
LP1 H49  H49  H 0 1 N N N -1.735  15.544 25.829 -2.355 3.104  -9.452 H49  LP1 110 
LP1 H52  H52  H 0 1 N N N -5.369  19.341 23.981 -2.198 -2.434 -9.449 H52  LP1 111 
LP1 H53  H53  H 0 1 N N N -3.361  16.419 27.492 -4.533 1.931  -9.640 H53  LP1 112 
LP1 H54  H54  H 0 1 N N N -6.269  19.340 26.323 -4.622 -2.322 -9.656 H54  LP1 113 
LP1 H55  H55  H 0 1 N N N -5.345  17.869 28.027 -5.780 -0.157 -9.751 H55  LP1 114 
LP1 HN1  1HN  H 0 1 N N N -4.309  18.519 18.700 2.851  -4.271 -7.576 HN1  LP1 115 
LP1 HN2  2HN  H 0 1 N N N -3.767  16.957 18.005 2.879  -2.592 -7.570 HN2  LP1 116 
# 
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 
LP1 C1  C2   SING N N 1   
LP1 C1  H11  SING N N 2   
LP1 C1  H12  SING N N 3   
LP1 C1  H13A SING N N 4   
LP1 C2  O3   DOUB N N 5   
LP1 C2  N4   SING N N 6   
LP1 C7  C8   DOUB Y N 7   
LP1 C7  C11  SING Y N 8   
LP1 C7  C6   SING N N 9   
LP1 C8  C9   SING Y N 10  
LP1 C8  H8   SING N N 11  
LP1 C9  C10  DOUB Y N 12  
LP1 C9  H9   SING N N 13  
LP1 C10 C12  SING Y N 14  
LP1 C10 H10  SING N N 15  
LP1 C11 C12  DOUB Y N 16  
LP1 C11 C13  SING Y N 17  
LP1 C12 C14  SING Y N 18  
LP1 C13 C15  DOUB Y N 19  
LP1 C13 H13  SING N N 20  
LP1 C14 C16  DOUB Y N 21  
LP1 C14 H14  SING N N 22  
LP1 C15 C16  SING Y N 23  
LP1 C15 H15  SING N N 24  
LP1 C16 H16  SING N N 25  
LP1 C20 C21  SING N N 26  
LP1 C20 N19  SING N N 27  
LP1 C20 C23  SING N N 28  
LP1 C20 H20  SING N N 29  
LP1 C21 N26  SING N N 30  
LP1 C21 O22  DOUB N N 31  
LP1 C24 C23  SING N N 32  
LP1 C24 H241 SING N N 33  
LP1 C24 H242 SING N N 34  
LP1 C24 H243 SING N N 35  
LP1 N26 C27  SING N N 36  
LP1 N26 HNQ  SING N N 37  
LP1 C27 C32  SING N N 38  
LP1 C27 C28  SING N N 39  
LP1 C27 H27  SING N N 40  
LP1 C30 C29  SING N N 41  
LP1 C30 H301 SING N N 42  
LP1 C30 H302 SING N N 43  
LP1 C30 H303 SING N N 44  
LP1 C31 C29  SING N N 45  
LP1 C31 H311 SING N N 46  
LP1 C31 H312 SING N N 47  
LP1 C31 H313 SING N N 48  
LP1 C32 C33  SING N N 49  
LP1 C32 O34  SING N N 50  
LP1 C32 H32  SING N N 51  
LP1 C33 C35  SING N N 52  
LP1 C33 H331 SING N N 53  
LP1 C33 H332 SING N N 54  
LP1 C35 O36  DOUB N N 55  
LP1 C35 N37  SING N N 56  
LP1 N4  C5   SING N N 57  
LP1 N4  HN4  SING N N 58  
LP1 C5  C6   SING N N 59  
LP1 C5  C17  SING N N 60  
LP1 C5  H5   SING N N 61  
LP1 C6  H61  SING N N 62  
LP1 C6  H62  SING N N 63  
LP1 C17 O18  DOUB N N 64  
LP1 C17 N19  SING N N 65  
LP1 N19 HNJ  SING N N 66  
LP1 C23 C25  SING N N 67  
LP1 C23 H23  SING N N 68  
LP1 C25 H251 SING N N 69  
LP1 C25 H252 SING N N 70  
LP1 C25 H253 SING N N 71  
LP1 C28 C29  SING N N 72  
LP1 C28 H281 SING N N 73  
LP1 C28 H282 SING N N 74  
LP1 C29 H29  SING N N 75  
LP1 O34 HOY  SING N N 76  
LP1 N37 C38  SING N N 77  
LP1 N37 HN7  SING N N 78  
LP1 C38 C39  SING N N 79  
LP1 C38 C41  SING N N 80  
LP1 C38 H38  SING N N 81  
LP1 C39 C40  SING N N 82  
LP1 C39 H391 SING N N 83  
LP1 C39 H392 SING N N 84  
LP1 C40 H401 SING N N 85  
LP1 C40 H402 SING N N 86  
LP1 C40 H403 SING N N 87  
LP1 C41 O42  DOUB N N 88  
LP1 C41 N43  SING N N 89  
LP1 N43 C44  SING N N 90  
LP1 N43 HN3  SING N N 91  
LP1 C44 C45  SING N N 92  
LP1 C44 C56  SING N N 93  
LP1 C44 H44  SING N N 94  
LP1 C45 C46  SING N N 95  
LP1 C45 H451 SING N N 96  
LP1 C45 H452 SING N N 97  
LP1 C46 C47  DOUB Y N 98  
LP1 C46 C50  SING Y N 99  
LP1 C47 C48  SING Y N 100 
LP1 C47 H47  SING N N 101 
LP1 C48 C49  DOUB Y N 102 
LP1 C48 H48  SING N N 103 
LP1 C49 C51  SING Y N 104 
LP1 C49 H49  SING N N 105 
LP1 C50 C51  DOUB Y N 106 
LP1 C50 C52  SING Y N 107 
LP1 C51 C53  SING Y N 108 
LP1 C52 C54  DOUB Y N 109 
LP1 C52 H52  SING N N 110 
LP1 C53 C55  DOUB Y N 111 
LP1 C53 H53  SING N N 112 
LP1 C54 C55  SING Y N 113 
LP1 C54 H54  SING N N 114 
LP1 C55 H55  SING N N 115 
LP1 C56 O57  DOUB N N 116 
LP1 C56 N58  SING N N 117 
LP1 N58 HN1  SING N N 118 
LP1 N58 HN2  SING N N 119 
# 
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 
LP1 SMILES           ACDLabs              10.04 O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c3ccccc3ccc4 
LP1 InChI            InChI                1.02b 
;InChI=1/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35-,36-,37-,38-,39-,41-/m0/s1/f/h47-51H,46H2
;
LP1 InChIKey         InChI                1.02b ACPDNLLISIAERE-GQSHMDMSDG 
LP1 SMILES_CANONICAL CACTVS               3.341 CC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc3cccc4ccccc34)C(N)=O 
LP1 SMILES           CACTVS               3.341 CC[CH](NC(=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[CH](Cc3cccc4ccccc34)C(N)=O 
LP1 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O 
LP1 SMILES           "OpenEye OEToolkits" 1.5.0 CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cccc4c3cccc4)NC(=O)C)O 
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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 
LP1 "SYSTEMATIC NAME" ACDLabs              10.04 "(4S,7S,10S,11S,15S,18S)-15-ethyl-11-hydroxy-7-(1-methylethyl)-10-(2-methylpropyl)-4,18-bis(naphthalen-1-ylmethyl)-2,5,8,13,16-pentaoxo-3,6,9,14,17-pentaazanonadecan-19-amide (non-preferred name)" 
LP1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-yl-propanoyl]amino]-3-methyl-butanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxo-propan-2-yl]amino]-1-oxo-butan-2-yl]-3-hydroxy-6-methyl-heptanamide 
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