4-methylsulfanyl-2-[(3-oxidanylidene-3-phenyl-propyl)amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3-oxidanylidene-3-phenyl-propyl)amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-oxo-3-phenyl-propyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[(3-oxo-3-phenylpropyl)amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3-oxo-3-phenylpropyl)amino]butanoic acid Traditional Name: 2-[(3-keto-3-phenyl-propyl)amino]-4-(methylthio)butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCCC(=O)C1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-19-10-8-12(14(17)18)15-9-7-13(16)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,17,18)