4-methylsulfanyl-2-[3-(2-oxidanylidenepyridin-1-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[3-(2-oxidanylidenepyridin-1-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(2-oxo-1-pyridyl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-3-(2-oxo-1-pyridinyl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[3-(2-oxopyridin-1-yl)propanoylamino]butanoic acid Traditional Name: 2-[3-(2-keto-1-pyridyl)propanoylamino]-4-(methylthio)butyric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCN1C=CC=CC1=O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCN1C=CC=CC1=O

InChI

InChI=1S/C13H18N2O4S/c1-20-9-6-10(13(18)19)14-11(16)5-8-15-7-3-2-4-12(15)17/h2-4,7,10H,5-6,8-9H2,1H3,(H,14,16)(H,18,19)