(2R)-4-methylsulfanyl-2-[(3-oxidanylidene-3-phenyl-propyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[(3-oxidanylidene-3-phenyl-propyl)azaniumyl]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[(3-oxo-3-phenyl-propyl)ammonio]butanoate CAS Name: (2R)-4-(methylthio)-2-[(3-oxo-3-phenylpropyl)ammonio]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[(3-oxo-3-phenylpropyl)azaniumyl]butanoate Traditional Name: (2R)-2-[(3-keto-3-phenyl-propyl)ammonio]-4-(methylthio)butyrate Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]CCC(=O)C1=CC=CC=C1

Isomeric SMILES

CSCC[C@H](C(=O)[O-])[NH2+]CCC(=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)/t12-/m1/s1