2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-3-mercapto-3-methyl-butyric acid Formula: C22H23NO5S3 MolecularWeight: 477.61672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S3/c1-22(2,29)17(19(25)26)23-18(24)16(31-21(28)15-11-7-4-8-12-15)13-30-20(27)14-9-5-3-6-10-14/h3-12,16-17,29H,13H2,1-2H3,(H,23,24)(H,25,26)