2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-4-methylpentanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-4-methyl-valeric acid Formula: C23H25NO5S2 MolecularWeight: 459.5783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S2/c1-15(2)13-18(21(26)27)24-20(25)19(31-23(29)17-11-7-4-8-12-17)14-30-22(28)16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3,(H,24,25)(H,26,27)