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

Systemtic Name: 4-methylsulfanyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]butanoic acid Openeye Name: 2-(3-benzoylsulfanylpropanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(3-benzoylsulfanylpropanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(benzoylthio)propanoylamino]-4-(methylthio)butyric acid Formula: C15H19NO4S2 MolecularWeight: 341.44566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S2/c1-21-9-7-12(14(18)19)16-13(17)8-10-22-15(20)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17)(H,18,19)