4-methylsulfanyl-2-(2-phenylpropanoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(2-phenylpropanoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(2-phenylpropanoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenylpropyl)amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(2-phenylpropanoylamino)butanoic acid Traditional Name: 2-(hydratropoylamino)-4-(methylthio)butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10(11-6-4-3-5-7-11)13(16)15-12(14(17)18)8-9-19-2/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18)