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

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-4-(methylthio)butyric acid Formula: C22H23NO5S3 MolecularWeight: 477.61672

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CSC(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CSC(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23NO5S3/c1-29-13-12-17(20(25)26)23-19(24)18(31-22(28)16-10-6-3-7-11-16)14-30-21(27)15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H,23,24)(H,25,26)