2-[(phenylmethyl)amino]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[(phenylmethyl)amino]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-(benzylamino)-3-phenylsulfanyl-propanoic acid CAS Name: 2-[(phenylmethyl)amino]-3-(phenylthio)propanoic acid IUPAC Name: 2-(benzylamino)-3-phenylsulfanylpropanoic acid Traditional Name: 2-(benzylamino)-3-(phenylthio)propionic acid Formula: C16H17NO2S MolecularWeight: 287.37668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H17NO2S/c18-16(19)15(12-20-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,18,19)