(2S)-2-phenyl-2-[3-(phenylmethylsulfanyl)propylamino]ethanoic acid

Systemtic Name: (2S)-2-phenyl-2-[3-(phenylmethylsulfanyl)propylamino]ethanoic acid Openeye Name: (2S)-2-(3-benzylsulfanylpropylamino)-2-phenyl-acetic acid CAS Name: (2S)-2-phenyl-2-[3-(phenylmethylthio)propylamino]acetic acid IUPAC Name: (2S)-2-(3-benzylsulfanylpropylamino)-2-phenylacetic acid Traditional Name: (2S)-2-[3-(benzylthio)propylamino]-2-phenyl-acetic acid Formula: C18H21NO2S MolecularWeight: 315.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCNC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCN[C@@H](C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H21NO2S/c20-18(21)17(16-10-5-2-6-11-16)19-12-7-13-22-14-15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2,(H,20,21)/t17-/m0/s1