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

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-3-mercapto-propionic acid Formula: C20H19NO5S3 MolecularWeight: 449.56356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(C(=O)NC(CS)C(=O)O)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(C(=O)NC(CS)C(=O)O)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H19NO5S3/c22-17(21-15(11-27)18(23)24)16(29-20(26)14-9-5-2-6-10-14)12-28-19(25)13-7-3-1-4-8-13/h1-10,15-16,27H,11-12H2,(H,21,22)(H,23,24)