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

Systemtic Name: 2-[3-(2-chlorophenyl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(2-chlorophenyl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(2-chlorophenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(2-chlorophenyl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(2-chlorophenyl)propanoylamino]-4-(methylthio)butyric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1=CC=CC=C1Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClNO3S/c1-20-9-8-12(14(18)19)16-13(17)7-6-10-4-2-3-5-11(10)15/h2-5,12H,6-9H2,1H3,(H,16,17)(H,18,19)