data_LNO
# 
_chem_comp.id                                    LNO 
_chem_comp.name                                  L-LEUCYL-HYDROXYLAMINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H14 N2 O2" 
_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                        146.188 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LNO 
_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        4TLN 
_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 
LNO N    N    N 0 1 N N N 52.907 16.546 -4.354 -1.858 0.570  0.284  N    LNO 1  
LNO CA   CA   C 0 1 N N S 51.998 17.681 -4.752 -0.425 0.444  -0.011 CA   LNO 2  
LNO C    C    C 0 1 N N N 52.570 18.758 -5.673 -0.244 -0.021 -1.432 C    LNO 3  
LNO O    O    O 0 1 N N N 53.633 18.701 -6.374 -1.085 -0.724 -1.951 O    LNO 4  
LNO CB   CB   C 0 1 N N N 52.028 18.472 -3.348 0.205  -0.572 0.942  CB   LNO 5  
LNO CG   CG   C 0 1 N N N 52.920 17.721 -2.366 0.022  -0.099 2.386  CG   LNO 6  
LNO CD1  CD1  C 0 1 N N N 54.277 17.669 -3.142 0.652  -1.115 3.339  CD1  LNO 7  
LNO CD2  CD2  C 0 1 N N N 53.031 18.254 -0.947 0.701  1.259  2.567  CD2  LNO 8  
LNO N2   N2   N 0 1 N N N 51.844 19.830 -5.654 0.850  0.344  -2.127 N2   LNO 9  
LNO ON2  ON2  O 0 1 N N N 52.476 20.725 -6.492 1.020  -0.093 -3.463 ON2  LNO 10 
LNO HN1  1HN  H 0 1 N N N 52.525 15.827 -3.739 -1.934 0.782  1.268  HN1  LNO 11 
LNO HN2A 2HN  H 0 0 N N N 53.757 16.926 -3.939 -2.263 -0.344 0.152  HN2A LNO 12 
LNO HA   HA   H 0 1 N N N 51.082 17.274 -5.241 0.058  1.412  0.118  HA   LNO 13 
LNO HB1  1HB  H 0 1 N N N 52.335 19.536 -3.469 1.268  -0.665 0.723  HB1  LNO 14 
LNO HB2  2HB  H 0 1 N N N 51.005 18.648 -2.940 -0.278 -1.540 0.813  HB2  LNO 15 
LNO HG   HG   H 0 1 N N N 52.483 16.726 -2.112 -1.041 -0.005 2.605  HG   LNO 16 
LNO HD11 1HD1 H 0 0 N N N 54.929 17.119 -2.423 0.521  -0.778 4.368  HD11 LNO 17 
LNO HD12 2HD1 H 0 0 N N N 54.221 17.227 -4.164 0.168  -2.083 3.210  HD12 LNO 18 
LNO HD13 3HD1 H 0 0 N N N 54.669 18.657 -3.477 1.715  -1.209 3.120  HD13 LNO 19 
LNO HD21 1HD2 H 0 0 N N N 53.683 17.704 -0.228 1.765  1.166  2.348  HD21 LNO 20 
LNO HD22 2HD2 H 0 0 N N N 53.346 19.322 -0.982 0.252  1.984  1.888  HD22 LNO 21 
LNO HD23 3HD2 H 0 0 N N N 52.008 18.348 -0.512 0.571  1.596  3.596  HD23 LNO 22 
LNO HN2  HN2  H 0 1 N N N 50.986 19.941 -5.112 1.523  0.906  -1.712 HN2  LNO 23 
LNO HO2  HO2  H 0 1 N N N 51.943 21.511 -6.478 1.858  0.275  -3.774 HO2  LNO 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 
LNO N   CA   SING N N 1  
LNO N   HN1  SING N N 2  
LNO N   HN2A SING N N 3  
LNO CA  C    SING N N 4  
LNO CA  CB   SING N N 5  
LNO CA  HA   SING N N 6  
LNO C   O    DOUB N N 7  
LNO C   N2   SING N N 8  
LNO CB  CG   SING N N 9  
LNO CB  HB1  SING N N 10 
LNO CB  HB2  SING N N 11 
LNO CG  CD1  SING N N 12 
LNO CG  CD2  SING N N 13 
LNO CG  HG   SING N N 14 
LNO CD1 HD11 SING N N 15 
LNO CD1 HD12 SING N N 16 
LNO CD1 HD13 SING N N 17 
LNO CD2 HD21 SING N N 18 
LNO CD2 HD22 SING N N 19 
LNO CD2 HD23 SING N N 20 
LNO N2  ON2  SING N N 21 
LNO N2  HN2  SING N N 22 
LNO ON2 HO2  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 
LNO SMILES           ACDLabs              10.04 O=C(NO)C(N)CC(C)C                                                                    
LNO InChI            InChI                1.02b InChI=1/C6H14N2O2/c1-4(2)3-5(7)6(9)8-10/h4-5,10H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/f/h8H 
LNO InChIKey         InChI                1.02b UJJHPFLWSVFLBE-ZEYBBFMUDQ                                                            
LNO SMILES_CANONICAL CACTVS               3.341 CC(C)C[C@H](N)C(=O)NO                                                                
LNO SMILES           CACTVS               3.341 CC(C)C[CH](N)C(=O)NO                                                                 
LNO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)C[C@@H](C(=O)NO)N                                                               
LNO SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)CC(C(=O)NO)N                                                                    
# 
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 
LNO "SYSTEMATIC NAME" ACDLabs              10.04 N-hydroxy-L-leucinamide                     
LNO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S)-2-amino-N-hydroxy-4-methyl-pentanamide 
# 
