propan-2-yl (2S)-4-methylsulfanyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]butanoate

Systemtic Name: propan-2-yl (2S)-4-methylsulfanyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]butanoate Openeye Name: isopropyl (2S)-2-(3-benzoylsulfanylpropanoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(benzoylthio)-1-oxopropyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-(3-benzoylsulfanylpropanoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(benzoylthio)propanoylamino]-4-(methylthio)butyric acid isopropyl ester Formula: C18H25NO4S2 MolecularWeight: 383.5254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)CCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)OC(=O)[C@H](CCSC)NC(=O)CCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H25NO4S2/c1-13(2)23-17(21)15(9-11-24-3)19-16(20)10-12-25-18(22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,19,20)/t15-/m0/s1