data_LP2
# 
_chem_comp.id                                    LP2 
_chem_comp.name                                  "N2-[[[3-NAPHTYL-N-METHYLCARBONYL-ALANINYL-VALINYL]-AMINO-[1-[2-METHYL-PROPANYL]-2-HYDROXY-PROPAN-3-YL]-CARBONYL]-3-METHYL-ALANYL]-3-NAPHTYL-ALANYL-AMINE" 
_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                   OBS 
_chem_comp.pdbx_replaced_by                      LP1 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        794.978 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LP2 
_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        2FMB 
_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 
LP2 C1   C1   C 0 1 N N N 7.674  20.710 7.154  3.183  -2.373 9.053  C1   LP2 1   
LP2 C2   C2   C 0 1 N N N 6.863  20.986 5.895  2.339  -1.496 8.165  C2   LP2 2   
LP2 O3   O3   O 0 1 N N N 6.456  22.118 5.597  2.664  -0.344 7.964  O3   LP2 3   
LP2 N4   N4   N 0 1 N N N 6.614  19.895 5.170  1.224  -1.991 7.593  N4   LP2 4   
LP2 C5   C5   C 0 1 N N S 5.818  20.025 3.942  0.403  -1.138 6.729  C5   LP2 5   
LP2 C6   C6   C 0 1 N N N 6.475  19.405 2.694  -0.094 0.067  7.528  C6   LP2 6   
LP2 C7   C7   C 0 1 Y N N 7.498  20.288 2.053  -0.921 -0.409 8.694  C7   LP2 7   
LP2 C8   C8   C 0 1 Y N N 7.541  21.630 2.368  -0.328 -0.668 9.892  C8   LP2 8   
LP2 C9   C9   C 0 1 Y N N 8.512  22.458 1.812  -1.076 -1.110 10.982 C9   LP2 9   
LP2 C10  C10  C 0 1 Y N N 9.459  21.950 0.934  -2.420 -1.294 10.881 C10  LP2 10  
LP2 C11  C11  C 0 1 Y N N 8.441  19.746 1.182  -2.308 -0.583 8.553  C11  LP2 11  
LP2 C12  C12  C 0 1 Y N N 9.434  20.579 0.610  -3.067 -1.037 9.660  C12  LP2 12  
LP2 C13  C13  C 0 1 Y N N 8.441  18.382 0.877  -2.954 -0.331 7.331  C13  LP2 13  
LP2 C14  C14  C 0 1 Y N N 10.401 20.033 -0.246 -4.454 -1.216 9.517  C14  LP2 14  
LP2 C15  C15  C 0 1 Y N N 9.372  17.878 0.007  -4.298 -0.516 7.229  C15  LP2 15  
LP2 C16  C16  C 0 1 Y N N 10.328 18.696 -0.539 -5.046 -0.957 8.320  C16  LP2 16  
LP2 C17  C17  C 0 1 N N N 4.545  19.167 4.062  1.230  -0.662 5.563  C17  LP2 17  
LP2 O18  O18  O 0 1 N N N 4.651  18.027 4.470  2.426  -0.508 5.690  O18  LP2 18  
LP2 N19  N19  N 0 1 N N N 3.473  19.714 3.587  0.639  -0.406 4.378  N19  LP2 19  
LP2 C20  C20  C 0 1 N N S 2.169  19.155 3.458  1.443  0.056  3.244  C20  LP2 20  
LP2 C21  C21  C 0 1 N N N 1.700  19.467 2.031  0.599  0.933  2.356  C21  LP2 21  
LP2 O22  O22  O 0 1 N N N 1.310  20.571 1.655  -0.608 0.931  2.472  O22  LP2 22  
LP2 C23  C23  C 0 1 N N N 1.130  19.604 4.519  1.941  -1.149 2.446  C23  LP2 23  
LP2 C24  C24  C 0 1 N N N -0.224 19.002 4.195  0.749  -1.865 1.807  C24  LP2 24  
LP2 C25  C25  C 0 1 N N N 1.467  18.983 5.869  2.898  -0.675 1.350  C25  LP2 25  
LP2 N26  N26  N 0 1 N N N 1.706  18.437 1.214  1.185  1.720  1.432  N26  LP2 26  
LP2 C27  C27  C 0 1 N N S 1.328  18.393 -0.166 0.379  2.667  0.657  C27  LP2 27  
LP2 C28  C28  C 0 1 N N N 2.603  18.032 -0.985 0.533  4.070  1.246  C28  LP2 28  
LP2 C29  C29  C 0 1 N N N 3.811  18.959 -0.577 -0.070 4.103  2.652  C29  LP2 29  
LP2 C30  C30  C 0 1 N N N 5.107  18.356 -0.957 0.234  5.452  3.306  C30  LP2 30  
LP2 C31  C31  C 0 1 N N N 3.567  20.330 -1.135 -1.585 3.911  2.560  C31  LP2 31  
LP2 C32  C32  C 0 1 N N S 0.055  17.528 -0.486 0.853  2.669  -0.796 C32  LP2 32  
LP2 C33  C33  C 0 1 N N N -1.261 18.292 -0.281 0.698  1.265  -1.385 C33  LP2 33  
LP2 O34  O34  O 0 1 N N N 0.001  16.361 0.343  2.227  3.059  -0.849 O34  LP2 34  
LP2 C35  C35  C 0 1 N N N -1.545 19.398 -1.302 1.165  1.268  -2.818 C35  LP2 35  
LP2 O36  O36  O 0 1 N N N -1.076 20.551 -1.310 1.581  2.291  -3.319 O36  LP2 36  
LP2 N37  N37  N 0 1 N N N -2.362 18.946 -2.247 1.121  0.132  -3.543 N37  LP2 37  
LP2 C38  C38  C 0 1 N N S -2.765 19.698 -3.418 1.575  0.135  -4.936 C38  LP2 38  
LP2 C39  C39  C 0 1 N N N -1.769 19.353 -4.545 3.069  -0.193 -4.986 C39  LP2 39  
LP2 C40  C40  C 0 1 N N N -1.870 20.113 -5.840 3.849  0.857  -4.194 C40  LP2 40  
LP2 C41  C41  C 0 1 N N N -4.171 19.316 -3.845 0.807  -0.899 -5.717 C41  LP2 41  
LP2 O42  O42  O 0 1 N N N -4.465 18.105 -3.890 -0.036 -1.573 -5.164 O42  LP2 42  
LP2 N43  N43  N 0 1 N N N -5.046 20.303 -4.092 1.057  -1.077 -7.029 N43  LP2 43  
LP2 C44  C44  C 0 1 N N S -6.414 20.028 -4.482 0.310  -2.083 -7.788 C44  LP2 44  
LP2 C45  C45  C 0 1 N N N -7.486 20.200 -3.381 0.185  -1.634 -9.245 C45  LP2 45  
LP2 C46  C46  C 0 1 Y N N -7.071 21.225 -2.329 -0.543 -0.317 -9.304 C46  LP2 46  
LP2 C47  C47  C 0 1 Y N N -7.475 22.549 -2.453 0.151  0.852  -9.243 C47  LP2 47  
LP2 C48  C48  C 0 1 Y N N -7.085 23.513 -1.512 -0.505 2.079  -9.296 C48  LP2 48  
LP2 C49  C49  C 0 1 Y N N -6.267 23.169 -0.457 -1.860 2.145  -9.412 C49  LP2 49  
LP2 C50  C50  C 0 1 Y N N -6.235 20.874 -1.264 -1.942 -0.289 -9.429 C50  LP2 50  
LP2 C51  C51  C 0 1 Y N N -5.826 21.851 -0.303 -2.610 0.959  -9.479 C51  LP2 51  
LP2 C52  C52  C 0 1 Y N N -5.788 19.550 -1.129 -2.693 -1.475 -9.490 C52  LP2 52  
LP2 C53  C53  C 0 1 Y N N -4.980 21.485 0.751  -4.011 0.987  -9.598 C53  LP2 53  
LP2 C54  C54  C 0 1 Y N N -4.946 19.211 -0.081 -4.047 -1.409 -9.605 C54  LP2 54  
LP2 C55  C55  C 0 1 Y N N -4.554 20.166 0.834  -4.704 -0.181 -9.659 C55  LP2 55  
LP2 C56  C56  C 0 1 N N N -6.808 20.691 -5.793 1.039  -3.401 -7.728 C56  LP2 56  
LP2 O57  O57  O 0 1 N N N -6.314 21.779 -6.136 0.417  -4.441 -7.783 O57  LP2 57  
LP2 N58  N58  N 0 1 N N N -7.708 20.111 -6.559 2.382  -3.423 -7.614 N58  LP2 58  
LP2 H11  1H1  H 0 1 N N N 8.040  19.691 7.422  3.538  -3.232 8.484  H11  LP2 59  
LP2 H12  2H1  H 0 1 N N N 8.556  21.391 7.141  4.037  -1.803 9.421  H12  LP2 60  
LP2 H13A 3H1  H 0 0 N N N 7.089  21.095 8.021  2.586  -2.718 9.897  H13A LP2 61  
LP2 HN4  HN4  H 0 1 N N N 7.004  19.023 5.528  0.964  -2.912 7.753  HN4  LP2 62  
LP2 H5   H5   H 0 1 N N N 5.669  21.124 3.833  -0.449 -1.708 6.361  H5   LP2 63  
LP2 H61  1H6  H 0 1 N N N 6.910  18.406 2.933  0.758  0.637  7.896  H61  LP2 64  
LP2 H62  2H6  H 0 1 N N N 5.700  19.097 1.953  -0.705 0.701  6.885  H62  LP2 65  
LP2 H8   H8   H 0 1 N N N 6.795  22.043 3.067  0.737  -0.530 9.999  H8   LP2 66  
LP2 H9   H9   H 0 1 N N N 8.531  23.530 2.070  -0.581 -1.309 11.921 H9   LP2 67  
LP2 H10  H10  H 0 1 N N N 10.217 22.623 0.501  -2.987 -1.637 11.734 H10  LP2 68  
LP2 H13  H13  H 0 1 N N N 7.701  17.698 1.326  -2.387 0.010  6.477  H13  LP2 69  
LP2 H14  H14  H 0 1 N N N 11.207 20.646 -0.682 -5.046 -1.558 10.353 H14  LP2 70  
LP2 H15  H15  H 0 1 N N N 9.351  16.806 -0.255 -4.793 -0.318 6.290  H15  LP2 71  
LP2 H16  H16  H 0 1 N N N 11.063 18.263 -1.238 -6.112 -1.096 8.212  H16  LP2 72  
LP2 HNJ  HNJ  H 0 1 N N N 3.673  20.668 3.288  -0.317 -0.529 4.277  HNJ  LP2 73  
LP2 H20  H20  H 0 1 N N N 2.243  18.059 3.650  2.296  0.626  3.612  H20  LP2 74  
LP2 H23  H23  H 0 1 N N N 1.131  20.718 4.530  2.463  -1.835 3.112  H23  LP2 75  
LP2 H241 1H24 H 0 0 N N N -0.970 19.324 4.957  1.104  -2.725 1.238  H241 LP2 76  
LP2 H242 2H24 H 0 0 N N N -0.553 19.242 3.157  0.068  -2.203 2.588  H242 LP2 77  
LP2 H243 3H24 H 0 0 N N N -0.177 17.892 4.096  0.227  -1.179 1.141  H243 LP2 78  
LP2 H251 1H25 H 0 0 N N N 0.720  19.305 6.631  2.362  -0.030 0.653  H251 LP2 79  
LP2 H252 2H25 H 0 0 N N N 1.552  17.872 5.809  3.720  -0.118 1.801  H252 LP2 80  
LP2 H253 3H25 H 0 0 N N N 2.512  19.208 6.184  3.294  -1.538 0.815  H253 LP2 81  
LP2 HNQ  HNQ  H 0 1 N N N 2.032  17.597 1.693  2.141  1.660  1.281  HNQ  LP2 82  
LP2 H27  H27  H 0 1 N N N 0.962  19.398 -0.480 -0.668 2.369  0.698  H27  LP2 83  
LP2 H281 1H28 H 0 0 N N N 2.861  16.951 -0.890 1.591  4.328  1.300  H281 LP2 84  
LP2 H282 2H28 H 0 0 N N N 2.411  18.063 -2.082 0.016  4.790  0.612  H282 LP2 85  
LP2 H29  H29  H 0 1 N N N 3.876  19.061 0.531  0.361  3.302  3.252  H29  LP2 86  
LP2 H301 1H30 H 0 0 N N N 5.961  19.011 -0.668 -0.196 5.475  4.308  H301 LP2 87  
LP2 H302 2H30 H 0 0 N N N 5.219  17.329 -0.535 1.313  5.588  3.372  H302 LP2 88  
LP2 H303 3H30 H 0 0 N N N 5.136  18.100 -2.042 -0.197 6.253  2.706  H303 LP2 89  
LP2 H311 1H31 H 0 0 N N N 4.421  20.985 -0.846 -2.029 4.762  2.043  H311 LP2 90  
LP2 H312 2H31 H 0 0 N N N 3.388  20.318 -2.235 -1.803 2.997  2.008  H312 LP2 91  
LP2 H313 3H31 H 0 0 N N N 2.581  20.749 -0.824 -2.004 3.838  3.564  H313 LP2 92  
LP2 H32  H32  H 0 1 N N N 0.154  17.254 -1.562 0.253  3.373  -1.373 H32  LP2 93  
LP2 H331 1H33 H 0 0 N N N -2.116 17.577 -0.243 -0.349 0.968  -1.345 H331 LP2 94  
LP2 H332 2H33 H 0 0 N N N -1.305 18.706 0.753  1.298  0.561  -0.809 H332 LP2 95  
LP2 HOY  HOY  H 0 1 N N N -0.768 15.838 0.149  2.721  2.412  -0.328 HOY  LP2 96  
LP2 HN7  HN7  H 0 1 N N N -2.688 17.996 -2.068 0.789  -0.685 -3.143 HN7  LP2 97  
LP2 H38  H38  H 0 1 N N N -2.762 20.790 -3.194 1.405  1.119  -5.372 H38  LP2 98  
LP2 H391 1H39 H 0 0 N N N -0.729 19.440 -4.151 3.406  -0.191 -6.023 H391 LP2 99  
LP2 H392 2H39 H 0 0 N N N -1.825 18.260 -4.758 3.239  -1.177 -4.550 H392 LP2 100 
LP2 H401 1H40 H 0 0 N N N -1.150 19.863 -6.654 4.913  0.623  -4.230 H401 LP2 101 
LP2 H402 2H40 H 0 0 N N N -2.909 20.025 -6.233 3.679  1.841  -4.630 H402 LP2 102 
LP2 H403 3H40 H 0 0 N N N -1.814 21.205 -5.626 3.511  0.855  -3.158 H403 LP2 103 
LP2 HN3  HN3  H 0 1 N N N -4.676 21.247 -3.984 1.732  -0.539 -7.471 HN3  LP2 104 
LP2 H44  H44  H 0 1 N N N -6.401 18.927 -4.660 -0.684 -2.198 -7.357 H44  LP2 105 
LP2 H451 1H45 H 0 0 N N N -8.479 20.452 -3.820 1.180  -1.519 -9.676 H451 LP2 106 
LP2 H452 2H45 H 0 0 N N N -7.743 19.221 -2.911 -0.370 -2.383 -9.810 H452 LP2 107 
LP2 H47  H47  H 0 1 N N N -8.111 22.837 -3.306 1.226  0.828  -9.151 H47  LP2 108 
LP2 H48  H48  H 0 1 N N N -7.426 24.557 -1.603 0.068  2.993  -9.245 H48  LP2 109 
LP2 H49  H49  H 0 1 N N N -5.965 23.947 0.263  -2.355 3.104  -9.452 H49  LP2 110 
LP2 H52  H52  H 0 1 N N N -6.099 18.773 -1.848 -2.198 -2.434 -9.449 H52  LP2 111 
LP2 H53  H53  H 0 1 N N N -4.654 22.223 1.503  -4.533 1.931  -9.640 H53  LP2 112 
LP2 H54  H54  H 0 1 N N N -4.585 18.174 0.025  -4.622 -2.322 -9.656 H54  LP2 113 
LP2 H55  H55  H 0 1 N N N -3.881 19.866 1.655  -5.780 -0.157 -9.751 H55  LP2 114 
LP2 HN1  1HN  H 0 1 N N N -8.113 19.218 -6.277 2.851  -4.271 -7.576 HN1  LP2 115 
LP2 HN2  2HN  H 0 1 N N N -7.972 20.555 -7.438 2.879  -2.592 -7.570 HN2  LP2 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 
LP2 C1  C2   SING N N 1   
LP2 C1  H11  SING N N 2   
LP2 C1  H12  SING N N 3   
LP2 C1  H13A SING N N 4   
LP2 C2  O3   DOUB N N 5   
LP2 C2  N4   SING N N 6   
LP2 N4  C5   SING N N 7   
LP2 N4  HN4  SING N N 8   
LP2 C5  C6   SING N N 9   
LP2 C5  C17  SING N N 10  
LP2 C5  H5   SING N N 11  
LP2 C6  C7   SING N N 12  
LP2 C6  H61  SING N N 13  
LP2 C6  H62  SING N N 14  
LP2 C7  C8   DOUB Y N 15  
LP2 C7  C11  SING Y N 16  
LP2 C8  C9   SING Y N 17  
LP2 C8  H8   SING N N 18  
LP2 C9  C10  DOUB Y N 19  
LP2 C9  H9   SING N N 20  
LP2 C10 C12  SING Y N 21  
LP2 C10 H10  SING N N 22  
LP2 C11 C12  DOUB Y N 23  
LP2 C11 C13  SING Y N 24  
LP2 C12 C14  SING Y N 25  
LP2 C13 C15  DOUB Y N 26  
LP2 C13 H13  SING N N 27  
LP2 C14 C16  DOUB Y N 28  
LP2 C14 H14  SING N N 29  
LP2 C15 C16  SING Y N 30  
LP2 C15 H15  SING N N 31  
LP2 C16 H16  SING N N 32  
LP2 C17 O18  DOUB N N 33  
LP2 C17 N19  SING N N 34  
LP2 N19 C20  SING N N 35  
LP2 N19 HNJ  SING N N 36  
LP2 C20 C21  SING N N 37  
LP2 C20 C23  SING N N 38  
LP2 C20 H20  SING N N 39  
LP2 C21 O22  DOUB N N 40  
LP2 C21 N26  SING N N 41  
LP2 C23 C24  SING N N 42  
LP2 C23 C25  SING N N 43  
LP2 C23 H23  SING N N 44  
LP2 C24 H241 SING N N 45  
LP2 C24 H242 SING N N 46  
LP2 C24 H243 SING N N 47  
LP2 C25 H251 SING N N 48  
LP2 C25 H252 SING N N 49  
LP2 C25 H253 SING N N 50  
LP2 N26 C27  SING N N 51  
LP2 N26 HNQ  SING N N 52  
LP2 C27 C28  SING N N 53  
LP2 C27 C32  SING N N 54  
LP2 C27 H27  SING N N 55  
LP2 C28 C29  SING N N 56  
LP2 C28 H281 SING N N 57  
LP2 C28 H282 SING N N 58  
LP2 C29 C30  SING N N 59  
LP2 C29 C31  SING N N 60  
LP2 C29 H29  SING N N 61  
LP2 C30 H301 SING N N 62  
LP2 C30 H302 SING N N 63  
LP2 C30 H303 SING N N 64  
LP2 C31 H311 SING N N 65  
LP2 C31 H312 SING N N 66  
LP2 C31 H313 SING N N 67  
LP2 C32 C33  SING N N 68  
LP2 C32 O34  SING N N 69  
LP2 C32 H32  SING N N 70  
LP2 C33 C35  SING N N 71  
LP2 C33 H331 SING N N 72  
LP2 C33 H332 SING N N 73  
LP2 O34 HOY  SING N N 74  
LP2 C35 O36  DOUB N N 75  
LP2 C35 N37  SING N N 76  
LP2 N37 C38  SING N N 77  
LP2 N37 HN7  SING N N 78  
LP2 C38 C39  SING N N 79  
LP2 C38 C41  SING N N 80  
LP2 C38 H38  SING N N 81  
LP2 C39 C40  SING N N 82  
LP2 C39 H391 SING N N 83  
LP2 C39 H392 SING N N 84  
LP2 C40 H401 SING N N 85  
LP2 C40 H402 SING N N 86  
LP2 C40 H403 SING N N 87  
LP2 C41 O42  DOUB N N 88  
LP2 C41 N43  SING N N 89  
LP2 N43 C44  SING N N 90  
LP2 N43 HN3  SING N N 91  
LP2 C44 C45  SING N N 92  
LP2 C44 C56  SING N N 93  
LP2 C44 H44  SING N N 94  
LP2 C45 C46  SING N N 95  
LP2 C45 H451 SING N N 96  
LP2 C45 H452 SING N N 97  
LP2 C46 C47  DOUB Y N 98  
LP2 C46 C50  SING Y N 99  
LP2 C47 C48  SING Y N 100 
LP2 C47 H47  SING N N 101 
LP2 C48 C49  DOUB Y N 102 
LP2 C48 H48  SING N N 103 
LP2 C49 C51  SING Y N 104 
LP2 C49 H49  SING N N 105 
LP2 C50 C51  DOUB Y N 106 
LP2 C50 C52  SING Y N 107 
LP2 C51 C53  SING Y N 108 
LP2 C52 C54  DOUB Y N 109 
LP2 C52 H52  SING N N 110 
LP2 C53 C55  DOUB Y N 111 
LP2 C53 H53  SING N N 112 
LP2 C54 C55  SING Y N 113 
LP2 C54 H54  SING N N 114 
LP2 C55 H55  SING N N 115 
LP2 C56 O57  DOUB N N 116 
LP2 C56 N58  SING N N 117 
LP2 N58 HN1  SING N N 118 
LP2 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 
LP2 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" 
LP2 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
;
LP2 InChIKey         InChI                1.02b ACPDNLLISIAERE-GQSHMDMSDG 
LP2 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" 
LP2 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" 
LP2 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" 
LP2 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" 
# 
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 
LP2 "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)" 
LP2 "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" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
LP2 "Create component" 1999-07-08 RCSB 
# 
