4-[methyl(2-phenylsulfanylethanoyl)amino]butanoic acid

Systemtic Name: 4-[methyl(2-phenylsulfanylethanoyl)amino]butanoic acid Openeye Name: 4-[methyl-(2-phenylsulfanylacetyl)amino]butanoic acid CAS Name: 4-[methyl-[1-oxo-2-(phenylthio)ethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2-phenylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-[methyl-[2-(phenylthio)acetyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=CC=CC=C1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-14(9-5-8-13(16)17)12(15)10-18-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,16,17)