(2S)-4-phenyl-2-[3-(phenylmethylsulfanyl)propylamino]butanoic acid

Systemtic Name: (2S)-4-phenyl-2-[3-(phenylmethylsulfanyl)propylamino]butanoic acid Openeye Name: (2S)-2-(3-benzylsulfanylpropylamino)-4-phenyl-butanoic acid CAS Name: (2S)-4-phenyl-2-[3-(phenylmethylthio)propylamino]butanoic acid IUPAC Name: (2S)-2-(3-benzylsulfanylpropylamino)-4-phenylbutanoic acid Traditional Name: (2S)-2-[3-(benzylthio)propylamino]-4-phenyl-butyric acid Formula: C20H25NO2S MolecularWeight: 343.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NCCCSCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)O)NCCCSCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO2S/c22-20(23)19(13-12-17-8-3-1-4-9-17)21-14-7-15-24-16-18-10-5-2-6-11-18/h1-6,8-11,19,21H,7,12-16H2,(H,22,23)/t19-/m0/s1