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

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-3-hydroxy-butyric acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S2/c1-13(23)17(19(25)26)22-18(24)16(30-21(28)15-10-6-3-7-11-15)12-29-20(27)14-8-4-2-5-9-14/h2-11,13,16-17,23H,12H2,1H3,(H,22,24)(H,25,26)