data_PHP
# 
_chem_comp.id                                    PHP 
_chem_comp.name                                  "(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H51 N4 O8 P" 
_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                         ? 
_chem_comp.formula_weight                        770.850 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PHP 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1HOS 
_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 
PHP C1     C1     C 0 1 N N N -11.806 14.281 32.973 1.286   -5.169 1.198  C1     PHP 1   
PHP O1     O1     O 0 1 N N N -12.537 15.266 33.201 0.815   -5.892 0.326  O1     PHP 2   
PHP OA1    OA1    O 0 1 N N N -12.140 13.031 33.308 2.551   -4.653 1.178  OA1    PHP 3   
PHP CB1    CB1    C 0 1 N N N -13.545 12.679 33.344 3.351   -5.005 0.043  CB1    PHP 4   
PHP CG1    CG1    C 0 1 Y N N -13.690 11.178 33.235 4.700   -4.362 0.177  CG1    PHP 5   
PHP CDB    1CD1   C 0 1 Y N N -12.883 10.457 32.367 4.913   -3.093 -0.350 CDB    PHP 6   
PHP CDL    2CD1   C 0 1 Y N N -14.632 10.543 34.016 5.725   -5.041 0.826  CDL    PHP 7   
PHP CEB    1CE1   C 0 1 Y N N -13.024 9.089  32.279 6.167   -2.495 -0.226 CEB    PHP 8   
PHP CEL    2CE1   C 0 1 Y N N -14.766 9.180  33.923 6.979   -4.443 0.950  CEL    PHP 9   
PHP CZ1    CZ1    C 0 1 Y N N -13.967 8.455  33.061 7.200   -3.170 0.424  CZ1    PHP 10  
PHP N2     N2     N 0 1 N N N -10.632 14.411 32.371 0.628   -4.753 2.339  N2     PHP 11  
PHP CA2    CA2    C 0 1 N N S -10.132 15.683 31.937 -0.726  -5.121 2.665  CA2    PHP 12  
PHP CB2    CB2    C 0 1 N N N -8.819  16.007 32.687 -0.992  -5.185 4.183  CB2    PHP 13  
PHP CGL    1CG2   C 0 1 N N N -8.143  17.184 32.058 -0.087  -6.185 4.911  CGL    PHP 14  
PHP CGM    2CG2   C 0 1 N N N -9.102  16.527 34.100 -0.854  -3.800 4.823  CGM    PHP 15  
PHP C2     C2     C 0 1 N N N -9.945  15.355 30.459 -1.662  -4.141 1.965  C2     PHP 16  
PHP O2     O2     O 0 1 N N N -9.170  14.463 30.101 -1.257  -3.157 1.349  O2     PHP 17  
PHP N3     N3     N 0 1 N N N -10.672 16.066 29.599 -2.992  -4.520 2.075  N3     PHP 18  
PHP CA3    CA3    C 0 1 N N R -10.650 15.904 28.145 -4.089  -3.783 1.462  CA3    PHP 19  
PHP CB3    CB3    C 0 1 N N N -12.069 15.635 27.581 -4.358  -4.290 0.041  CB3    PHP 20  
PHP CG3    CG3    C 0 1 Y N N -12.702 14.435 28.269 -3.408  -3.722 -0.985 CG3    PHP 21  
PHP CDD    1CD3   C 0 1 Y N N -13.811 14.614 29.070 -3.735  -2.542 -1.635 CDD    PHP 22  
PHP CDN    2CD3   C 0 1 Y N N -12.111 13.178 28.165 -2.226  -4.391 -1.260 CDN    PHP 23  
PHP CED    1CE3   C 0 1 Y N N -14.312 13.542 29.768 -2.857  -2.017 -2.583 CED    PHP 24  
PHP CEN    2CE3   C 0 1 Y N N -12.626 12.110 28.871 -1.348  -3.866 -2.209 CEN    PHP 25  
PHP CZ3    CZ3    C 0 1 Y N N -13.723 12.304 29.669 -1.663  -2.679 -2.870 CZ3    PHP 26  
PHP P3     P3     P 0 1 N N N -10.106 17.544 27.607 -5.483  -4.011 2.574  P3     PHP 27  
PHP O3     O3     O 0 1 N N N -10.376 18.524 28.676 -5.167  -3.667 4.002  O3     PHP 28  
PHP "O3'"  "O3'"  O 0 1 N N N -10.858 18.089 26.448 -5.882  -5.566 2.358  "O3'"  PHP 29  
PHP N4     N4     N 0 1 N N N -8.391  17.345 25.699 -8.047  -3.412 2.724  N4     PHP 30  
PHP CA4    CA4    C 0 1 N N R -8.375  17.326 27.150 -6.881  -3.105 1.908  CA4    PHP 31  
PHP CB4    CB4    C 0 1 N N N -7.511  18.495 27.665 -6.669  -1.590 1.748  CB4    PHP 32  
PHP CG4    CG4    C 0 1 Y N N -6.063  18.203 27.304 -6.384  -0.842 3.028  CG4    PHP 33  
PHP CDE    1CD4   C 0 1 Y N N -5.462  18.873 26.252 -7.439  -0.323 3.761  CDE    PHP 34  
PHP CDO    2CD4   C 0 1 Y N N -5.391  17.184 27.952 -5.072  -0.688 3.446  CDO    PHP 35  
PHP CEE    1CE4   C 0 1 Y N N -4.200  18.499 25.848 -7.176  0.368  4.944  CEE    PHP 36  
PHP CEO    2CE4   C 0 1 Y N N -4.132  16.822 27.538 -4.808  0.003  4.629  CEO    PHP 37  
PHP CZ4    CZ4    C 0 1 Y N N -3.541  17.476 26.484 -5.860  0.531  5.378  CZ4    PHP 38  
PHP N5     N5     N 0 1 N N N -6.632  16.611 23.142 -11.555 -3.030 2.932  N5     PHP 39  
PHP CA5    CA5    C 0 1 N N S -8.049  16.487 23.428 -10.383 -3.808 3.259  CA5    PHP 40  
PHP CB5    CB5    C 0 1 N N N -8.705  15.237 22.840 -10.720 -5.307 3.376  CB5    PHP 41  
PHP CGF    1CG5   C 0 1 N N N -10.197 15.329 23.123 -11.318 -5.902 2.098  CGF    PHP 42  
PHP CGG    2CG5   C 0 1 N N N -8.505  15.143 21.350 -9.510  -6.129 3.820  CGG    PHP 43  
PHP C5     C5     C 0 1 N N N -7.990  16.332 24.931 -9.333  -3.467 2.204  C5     PHP 44  
PHP O5     O5     O 0 1 N N N -7.558  15.285 25.405 -9.619  -3.266 1.025  O5     PHP 45  
PHP CB6    CB6    C 0 1 N N N -3.960  16.886 21.655 -14.392 -1.221 4.115  CB6    PHP 46  
PHP CG6    CG6    C 0 1 Y N N -2.584  16.852 22.345 -15.420 -0.518 3.278  CG6    PHP 47  
PHP CDG    1CD6   C 0 1 Y N N -2.015  18.007 22.856 -15.231 0.815  2.931  CDG    PHP 48  
PHP CEG    1CE6   C 0 1 Y N N -0.770  17.966 23.460 -16.187 1.469  2.153  CEG    PHP 49  
PHP CEQ    2CE6   C 0 1 Y N N -0.639  15.624 23.059 -17.508 -0.553 2.078  CEQ    PHP 50  
PHP CDQ    2CD6   C 0 1 Y N N -1.882  15.663 22.454 -16.552 -1.206 2.856  CDQ    PHP 51  
PHP CZ6    CZ6    C 0 1 Y N N ?       ?      ?      -17.325 0.785  1.726  CZ6    PHP 52  
PHP OA6    OA6    O 0 1 N N N ?       ?      ?      -13.420 -1.824 3.253  OA6    PHP 53  
PHP C6     C6     C 0 1 N N N ?       ?      ?      -12.413 -2.505 3.876  C6     PHP 54  
PHP O6     O6     O 0 1 N N N ?       ?      ?      -12.300 -2.624 5.091  O6     PHP 55  
PHP HB11   1HB1   H 0 0 N N N -14.135 13.217 32.566 2.845   -4.669 -0.868 HB11   PHP 56  
PHP HB12   2HB1   H 0 0 N N N -14.059 13.088 34.245 3.445   -6.095 -0.006 HB12   PHP 57  
PHP HD11   1HD1   H 0 0 N N N -12.129 10.971 31.747 4.114   -2.560 -0.859 HD11   PHP 58  
PHP HD12   2HD1   H 0 0 N N N -15.271 11.119 34.707 5.562   -6.033 1.239  HD12   PHP 59  
PHP HE11   1HE1   H 0 0 N N N -12.389 8.508  31.590 6.339   -1.504 -0.636 HE11   PHP 60  
PHP HE12   2HE1   H 0 0 N N N -15.519 8.665  34.544 7.784   -4.968 1.457  HE12   PHP 61  
PHP HZ1    HZ1    H 0 1 N N N -14.083 7.360  32.997 8.177   -2.704 0.521  HZ1    PHP 62  
PHP HN2    HN2    H 0 1 N N N -10.118 13.540 32.243 1.130   -4.152 2.988  HN2    PHP 63  
PHP HA2    HA2    H 0 1 N N N -10.761 16.585 32.120 -0.884  -6.111 2.219  HA2    PHP 64  
PHP HB2    HB2    H 0 1 N N N -8.221  15.066 32.670 -2.029  -5.511 4.339  HB2    PHP 65  
PHP HG21   1HG2   H 0 0 N N N -8.818  18.069 31.998 0.965   -5.887 4.866  HG21   PHP 66  
PHP HG22   2HG2   H 0 0 N N N -7.196  17.418 32.599 -0.367  -6.254 5.968  HG22   PHP 67  
PHP HG23   3HG2   H 0 0 N N N -7.973  17.033 30.966 -0.175  -7.188 4.482  HG23   PHP 68  
PHP HG24   4HG2   H 0 0 N N N -9.740  15.818 34.678 -1.525  -3.081 4.342  HG24   PHP 69  
PHP HG25   5HG2   H 0 0 N N N -8.155  16.761 34.641 -1.114  -3.838 5.886  HG25   PHP 70  
PHP HG26   6HG2   H 0 0 N N N -9.792  17.403 34.084 0.169   -3.418 4.742  HG26   PHP 71  
PHP HN3    HN3    H 0 1 N N N -11.262 16.754 30.067 -3.212  -5.354 2.611  HN3    PHP 72  
PHP HA3    HA3    H 0 1 N N N -10.014 15.052 27.809 -3.838  -2.720 1.438  HA3    PHP 73  
PHP HB31   1HB3   H 0 0 N N N -12.058 15.517 26.472 -4.317  -5.386 0.024  HB31   PHP 74  
PHP HB32   2HB3   H 0 0 N N N -12.718 16.539 27.647 -5.381  -4.031 -0.258 HB32   PHP 75  
PHP HD31   1HD3   H 0 0 N N N -14.292 15.603 29.152 -4.663  -2.019 -1.417 HD31   PHP 76  
PHP HD32   2HD3   H 0 0 N N N -11.229 13.027 27.519 -1.971  -5.316 -0.750 HD32   PHP 77  
PHP HE31   1HE3   H 0 0 N N N -15.196 13.677 30.414 -3.103  -1.093 -3.098 HE31   PHP 78  
PHP HE32   2HE3   H 0 0 N N N -12.165 11.111 28.798 -0.418  -4.382 -2.433 HE32   PHP 79  
PHP HZ3    HZ3    H 0 1 N N N -14.136 11.454 30.238 -0.980  -2.271 -3.609 HZ3    PHP 80  
PHP "HO3'" "'HO3" H 0 0 N N N -10.572 18.950 26.166 -5.241  -6.265 2.607  "HO3'" PHP 81  
PHP HN4    HN4    H 0 1 N N N -8.717  18.151 25.166 -7.914  -3.594 3.714  HN4    PHP 82  
PHP HA4    HA4    H 0 1 N N N -7.945  16.392 27.582 -7.075  -3.498 0.903  HA4    PHP 83  
PHP HB41   1HB4   H 0 0 N N N -7.653  18.690 28.754 -7.550  -1.138 1.273  HB41   PHP 84  
PHP HB42   2HB4   H 0 0 N N N -7.858  19.486 27.290 -5.840  -1.422 1.049  HB42   PHP 85  
PHP HD41   1HD4   H 0 0 N N N -5.984  19.698 25.740 -8.467  -0.446 3.431  HD41   PHP 86  
PHP HD42   2HD4   H 0 0 N N N -5.860  16.659 28.801 -4.246  -1.096 2.870  HD42   PHP 87  
PHP HE41   1HE4   H 0 0 N N N -3.713  19.023 25.008 -7.995  0.779  5.526  HE41   PHP 88  
PHP HE42   2HE4   H 0 0 N N N -3.596  16.006 28.052 -3.784  0.130  4.967  HE42   PHP 89  
PHP HZ4    HZ4    H 0 1 N N N -2.534  17.179 26.147 -5.655  1.069  6.298  HZ4    PHP 90  
PHP HN5    HN5    H 0 1 N N N -6.817  17.204 23.951 -11.759 -2.861 1.952  HN5    PHP 91  
PHP HA5    HA5    H 0 1 N N N -8.644  17.333 23.010 -10.050 -3.430 4.233  HA5    PHP 92  
PHP HB5    HB5    H 0 1 N N N -8.241  14.335 23.303 -11.480 -5.412 4.163  HB5    PHP 93  
PHP HG51   1HG5   H 0 0 N N N -10.653 16.276 22.750 -12.209 -5.350 1.781  HG51   PHP 94  
PHP HG52   2HG5   H 0 0 N N N -10.675 14.418 22.694 -11.618 -6.942 2.264  HG52   PHP 95  
PHP HG53   3HG5   H 0 0 N N N -10.427 15.473 24.205 -10.600 -5.895 1.272  HG53   PHP 96  
PHP HG54   4HG5   H 0 0 N N N -7.424  15.197 21.083 -8.739  -6.157 3.047  HG54   PHP 97  
PHP HG55   5HG5   H 0 0 N N N -8.983  14.232 20.921 -9.803  -7.163 4.031  HG55   PHP 98  
PHP HG56   6HG5   H 0 0 N N N -8.859  16.066 20.835 -9.067  -5.716 4.732  HG56   PHP 99  
PHP HB61   1HB6   H 0 0 N N N -4.333  17.904 21.397 -13.887 -0.518 4.786  HB61   PHP 100 
PHP HB62   2HB6   H 0 0 N N N -4.823  16.620 22.309 -14.859 -1.998 4.730  HB62   PHP 101 
PHP HD61   1HD6   H 0 0 N N N -2.556  18.965 22.782 -14.348 1.356  3.259  HD61   PHP 102 
PHP HE61   1HE6   H 0 0 N N N -0.752  18.625 24.345 -16.045 2.510  1.879  HE61   PHP 103 
PHP HE62   2HE6   H 0 0 N N N -0.615  16.231 23.980 -18.394 -1.085 1.745  HE62   PHP 104 
PHP HD62   2HD6   H 0 0 N N N -2.319  14.733 22.053 -16.703 -2.248 3.125  HD62   PHP 105 
PHP HZ6    HZ6    H 0 1 N N N 0.027   -0.645 -0.894 -18.069 1.293  1.120  HZ6    PHP 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 
PHP C1    O1     DOUB N N 1   
PHP C1    OA1    SING N N 2   
PHP C1    N2     SING N N 3   
PHP OA1   CB1    SING N N 4   
PHP CB1   CG1    SING N N 5   
PHP CB1   HB11   SING N N 6   
PHP CB1   HB12   SING N N 7   
PHP CG1   CDB    DOUB Y N 8   
PHP CG1   CDL    SING Y N 9   
PHP CDB   CEB    SING Y N 10  
PHP CDB   HD11   SING N N 11  
PHP CDL   CEL    DOUB Y N 12  
PHP CDL   HD12   SING N N 13  
PHP CEB   CZ1    DOUB Y N 14  
PHP CEB   HE11   SING N N 15  
PHP CEL   CZ1    SING Y N 16  
PHP CEL   HE12   SING N N 17  
PHP CZ1   HZ1    SING N N 18  
PHP N2    CA2    SING N N 19  
PHP N2    HN2    SING N N 20  
PHP CA2   CB2    SING N N 21  
PHP CA2   C2     SING N N 22  
PHP CA2   HA2    SING N N 23  
PHP CB2   CGL    SING N N 24  
PHP CB2   CGM    SING N N 25  
PHP CB2   HB2    SING N N 26  
PHP CGL   HG21   SING N N 27  
PHP CGL   HG22   SING N N 28  
PHP CGL   HG23   SING N N 29  
PHP CGM   HG24   SING N N 30  
PHP CGM   HG25   SING N N 31  
PHP CGM   HG26   SING N N 32  
PHP C2    O2     DOUB N N 33  
PHP C2    N3     SING N N 34  
PHP N3    CA3    SING N N 35  
PHP N3    HN3    SING N N 36  
PHP CA3   CB3    SING N N 37  
PHP CA3   P3     SING N N 38  
PHP CA3   HA3    SING N N 39  
PHP CB3   CG3    SING N N 40  
PHP CB3   HB31   SING N N 41  
PHP CB3   HB32   SING N N 42  
PHP CG3   CDD    DOUB Y N 43  
PHP CG3   CDN    SING Y N 44  
PHP CDD   CED    SING Y N 45  
PHP CDD   HD31   SING N N 46  
PHP CDN   CEN    DOUB Y N 47  
PHP CDN   HD32   SING N N 48  
PHP CED   CZ3    DOUB Y N 49  
PHP CED   HE31   SING N N 50  
PHP CEN   CZ3    SING Y N 51  
PHP CEN   HE32   SING N N 52  
PHP CZ3   HZ3    SING N N 53  
PHP P3    O3     DOUB N N 54  
PHP P3    "O3'"  SING N N 55  
PHP P3    CA4    SING N N 56  
PHP "O3'" "HO3'" SING N N 57  
PHP N4    CA4    SING N N 58  
PHP N4    C5     SING N N 59  
PHP N4    HN4    SING N N 60  
PHP CA4   CB4    SING N N 61  
PHP CA4   HA4    SING N N 62  
PHP CB4   CG4    SING N N 63  
PHP CB4   HB41   SING N N 64  
PHP CB4   HB42   SING N N 65  
PHP CG4   CDE    DOUB Y N 66  
PHP CG4   CDO    SING Y N 67  
PHP CDE   CEE    SING Y N 68  
PHP CDE   HD41   SING N N 69  
PHP CDO   CEO    DOUB Y N 70  
PHP CDO   HD42   SING N N 71  
PHP CEE   CZ4    DOUB Y N 72  
PHP CEE   HE41   SING N N 73  
PHP CEO   CZ4    SING Y N 74  
PHP CEO   HE42   SING N N 75  
PHP CZ4   HZ4    SING N N 76  
PHP N5    CA5    SING N N 77  
PHP N5    C6     SING N N 78  
PHP N5    HN5    SING N N 79  
PHP CA5   CB5    SING N N 80  
PHP CA5   C5     SING N N 81  
PHP CA5   HA5    SING N N 82  
PHP CB5   CGF    SING N N 83  
PHP CB5   CGG    SING N N 84  
PHP CB5   HB5    SING N N 85  
PHP CGF   HG51   SING N N 86  
PHP CGF   HG52   SING N N 87  
PHP CGF   HG53   SING N N 88  
PHP CGG   HG54   SING N N 89  
PHP CGG   HG55   SING N N 90  
PHP CGG   HG56   SING N N 91  
PHP C5    O5     DOUB N N 92  
PHP CB6   CG6    SING N N 93  
PHP CB6   OA6    SING N N 94  
PHP CB6   HB61   SING N N 95  
PHP CB6   HB62   SING N N 96  
PHP CG6   CDG    SING Y N 97  
PHP CG6   CDQ    DOUB Y N 98  
PHP CDG   CEG    DOUB Y N 99  
PHP CDG   HD61   SING N N 100 
PHP CEG   CZ6    SING Y N 101 
PHP CEG   HE61   SING N N 102 
PHP CEQ   CDQ    SING Y N 103 
PHP CEQ   CZ6    DOUB Y N 104 
PHP CEQ   HE62   SING N N 105 
PHP CDQ   HD62   SING N N 106 
PHP CZ6   HZ6    SING N N 107 
PHP OA6   C6     SING N N 108 
PHP C6    O6     DOUB N N 109 
# 
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 
PHP SMILES           ACDLabs              10.04 O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)P(=O)(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)Cc4ccccc4)C(C)C 
PHP InChI            InChI                1.02b 
;InChI=1/C42H51N4O8P/c1-29(2)37(45-41(49)53-27-33-21-13-7-14-22-33)39(47)43-35(25-31-17-9-5-10-18-31)55(51,52)36(26-32-19-11-6-12-20-32)44-40(48)38(30(3)4)46-42(50)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)/t35-,36-,37+,38+/m1/s1/f/h43-46,51H
;
PHP InChIKey         InChI                1.02b NKLAQVJZOVABOV-CYCXFMTMDP 
PHP SMILES_CANONICAL CACTVS               3.341 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)[P@@](O)(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)C 
PHP SMILES           CACTVS               3.341 CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)[P](O)(=O)[CH](Cc3ccccc3)NC(=O)[CH](NC(=O)OCc4ccccc4)C(C)C 
PHP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4 
PHP SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)C(C(=O)NC(Cc1ccccc1)P(=O)(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4 
# 
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 
PHP "SYSTEMATIC NAME" ACDLabs              10.04 "bis[(1R)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name)" 
PHP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "bis[(1R)-1-[[(2S)-3-methyl-2-phenylmethoxycarbonylamino-butanoyl]amino]-2-phenyl-ethyl]phosphinic acid"                      
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