Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

2BF

Summary
Name:ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID
Formula:C14 H16 N O3 P
Formal charge:0
Formula weight:277.256 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(R)-(benzylamino)(phenyl)methyl]phosphonic acid
OpenEye OEToolkits1.5.0[(R)-phenyl-(phenylmethylamino)methyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)C(NCc1ccccc1)c2ccccc2
SMILES_CANONICALCACTVS3.341O[P](O)(=O)[C@@H](NCc1ccccc1)c2ccccc2
SMILESCACTVS3.341O[P](O)(=O)[CH](NCc1ccccc1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CNC(c2ccccc2)P(=O)(O)O
InChIInChI1.03InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1
InChIKeyInChI1.03SLMGIUOAZCYKPE-CQSZACIVSA-N

247536

PDB entries from 2026-01-14

PDB statisticsPDBj update infoContact PDBjnumon