• 
  [Synonyms]
  NSC669690
  AIDS145226
  AIDS-145226
  NCI60_024351
  1-(((Benzyloxy)carbonyl)amino)-2-phenylethyl(phenyl)phosphinic acid
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	395.388141 [g/mol]
  Molecular Formula	C22H22NO4P
  XLogP	4.1
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	8
  Tautomer Count	2
  Exact Mass	395.128645
  MonoIsotopic Mass	395.128645
  Topological Polar Surface Area	75.6
  Heavy Atom Count	28
  Formal Charge	0
  Complexity	523
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: phenyl-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
  Canonical SMILES: C1=CC=C(C=C1)CC(NC(=O)OCC2=CC=CC=C2)P(=O)(C3=CC=CC=C3)O
  InChI: InChI=1/C22H22NO4P/c24-22(27-17-19-12-6-2-7-13-19)23-21(16-18-10-4-1-5-
  11-18)28(25,26)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24)(H,25,
  26)/f/h23,25H