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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S2/c1-3-15(2)19(21(26)27)24-20(25)18(31-23(29)17-12-8-5-9-13-17)14-30-22(28)16-10-6-4-7-11-16/h4-13,15,18-19H,3,14H2,1-2H3,(H,24,25)(H,26,27)