2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-(methylthio)butyric acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

InChI

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