methyl 2-(3-acetamidopropanoylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-(3-acetamidopropanoylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-(3-acetamidopropanoylamino)-3-benzylsulfanyl-propanoate CAS Name: 2-[(3-acetamido-1-oxopropyl)amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-(3-acetamidopropanoylamino)-3-benzylsulfanylpropanoate Traditional Name: 2-(3-acetamidopropanoylamino)-3-(benzylthio)propionic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)NCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-12(19)17-9-8-15(20)18-14(16(21)22-2)11-23-10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H,17,19)(H,18,20)