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

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-3-methyl-butyric acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S2/c1-14(2)18(20(25)26)23-19(24)17(30-22(28)16-11-7-4-8-12-16)13-29-21(27)15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3,(H,23,24)(H,25,26)