data_NLP
# 
_chem_comp.id                                    NLP 
_chem_comp.name                                  "(1-AMINO-PENTYL)-PHOSPHONIC ACID" 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H14 N O3 P" 
_chem_comp.mon_nstd_parent_comp_id               LEU 
_chem_comp.pdbx_synonyms                         "NORLEUCINE PHOSPHONATE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-28 
_chem_comp.pdbx_modified_date                    2009-01-07 
_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                        167.143 
_chem_comp.one_letter_code                       L 
_chem_comp.three_letter_code                     NLP 
_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        1C27 
_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 
NLP N   N   N 0 1 N N N 20.334 -15.265 9.234  -2.198 0.139  -1.438 N   NLP 1  
NLP CA  CA  C 0 1 N N R 20.895 -13.908 8.883  -1.092 0.530  -0.553 CA  NLP 2  
NLP CB  CB  C 0 1 N N N 22.240 -14.010 8.162  -1.300 -0.093 0.827  CB  NLP 3  
NLP CG  CG  C 0 1 N N N 23.504 -14.163 9.107  -0.148 0.313  1.749  CG  NLP 4  
NLP CD  CD  C 0 1 N N N 24.773 -13.586 8.459  -0.355 -0.310 3.130  CD  NLP 5  
NLP CE  CE  C 0 1 N N N 25.862 -14.482 9.080  0.796  0.096  4.051  CE  NLP 6  
NLP P   P   P 0 1 N N N 19.792 -13.005 7.839  0.483  -0.058 -1.255 P   NLP 7  
NLP O1  O1  O 0 1 N N N 18.324 -13.161 8.449  0.448  -1.532 -1.380 O1  NLP 8  
NLP O2  O2  O 0 1 N N N 19.908 -13.583 6.349  0.701  0.598  -2.709 O2  NLP 9  
NLP O3  O3  O 0 1 N N N 20.126 -11.465 7.885  1.695  0.370  -0.286 O3  NLP 10 
NLP HN1 1HN H 0 1 N N N 19.437 -15.197 9.714  -3.052 0.391  -0.963 HN1 NLP 11 
NLP HN2 2HN H 0 1 N N N 21.002 -15.812 9.775  -2.184 -0.867 -1.493 HN2 NLP 12 
NLP HA  HA  H 0 1 N N N 21.031 -13.376 9.853  -1.067 1.616  -0.462 HA  NLP 13 
NLP HB1 1HB H 0 1 N N N 22.214 -14.840 7.418  -1.325 -1.179 0.736  HB1 NLP 14 
NLP HB2 2HB H 0 1 N N N 22.375 -13.139 7.478  -2.242 0.258  1.247  HB2 NLP 15 
NLP HG1 1HG H 0 1 N N N 23.318 -13.711 10.109 -0.122 1.399  1.840  HG1 NLP 16 
NLP HG2 2HG H 0 1 N N N 23.652 -15.223 9.417  0.794  -0.038 1.329  HG2 NLP 17 
NLP HD1 1HD H 0 1 N N N 24.764 -13.547 7.344  -0.381 -1.395 3.039  HD1 NLP 18 
NLP HD2 2HD H 0 1 N N N 24.922 -12.489 8.595  -1.297 0.041  3.550  HD2 NLP 19 
NLP HE1 1HE H 0 1 N N N 26.782 -14.063 8.610  0.649  -0.347 5.036  HE1 NLP 20 
NLP HE2 2HE H 0 1 N N N 25.870 -14.520 10.194 1.739  -0.254 3.632  HE2 NLP 21 
NLP HE3 3HE H 0 1 N N N 25.712 -15.578 8.943  0.822  1.182  4.143  HE3 NLP 22 
NLP HO2 HO2 H 0 1 N N N 19.315 -13.097 5.787  1.543  0.261  -3.044 HO2 NLP 23 
NLP HO3 HO3 H 0 1 N N N 19.533 -10.979 7.323  1.682  1.335  -0.232 HO3 NLP 24 
# 
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 
NLP N  CA  SING N N 1  
NLP N  HN1 SING N N 2  
NLP N  HN2 SING N N 3  
NLP CA CB  SING N N 4  
NLP CA P   SING N N 5  
NLP CA HA  SING N N 6  
NLP CB CG  SING N N 7  
NLP CB HB1 SING N N 8  
NLP CB HB2 SING N N 9  
NLP CG CD  SING N N 10 
NLP CG HG1 SING N N 11 
NLP CG HG2 SING N N 12 
NLP CD CE  SING N N 13 
NLP CD HD1 SING N N 14 
NLP CD HD2 SING N N 15 
NLP CE HE1 SING N N 16 
NLP CE HE2 SING N N 17 
NLP CE HE3 SING N N 18 
NLP P  O1  DOUB N N 19 
NLP P  O2  SING N N 20 
NLP P  O3  SING N N 21 
NLP O2 HO2 SING N N 22 
NLP O3 HO3 SING N N 23 
# 
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 
NLP SMILES           ACDLabs              10.04 "O=P(O)(O)C(N)CCCC"                                                                    
NLP InChI            InChI                1.02b "InChI=1/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m1/s1/f/h7-8H" 
NLP InChIKey         InChI                1.02b NXTPDFMZKSLVRK-UTLVLTFCDS                                                              
NLP SMILES_CANONICAL CACTVS               3.341 "CCCC[C@H](N)[P](O)(O)=O"                                                              
NLP SMILES           CACTVS               3.341 "CCCC[CH](N)[P](O)(O)=O"                                                               
NLP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCC[C@H](N)P(=O)(O)O"                                                                
NLP SMILES           "OpenEye OEToolkits" 1.5.0 "CCCCC(N)P(=O)(O)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 
NLP "SYSTEMATIC NAME" ACDLabs              10.04 "[(1R)-1-aminopentyl]phosphonic acid" 
NLP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(1R)-1-aminopentyl]phosphonic acid" 
# 
