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

Systemtic Name: 2-[3-(furan-2-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(2-furyl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(2-furanyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(furan-2-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(2-furyl)propanoylamino]-4-(methylthio)butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1=CC=CO1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1=CC=CO1

InChI

InChI=1S/C12H17NO4S/c1-18-8-6-10(12(15)16)13-11(14)5-4-9-3-2-7-17-9/h2-3,7,10H,4-6,8H2,1H3,(H,13,14)(H,15,16)