2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-4-phenyl-butanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-4-phenyl-butanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-4-phenyl-butanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-4-phenylbutanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-4-phenyl-butyric acid Formula: C27H25NO5S2 MolecularWeight: 507.6211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H25NO5S2/c29-24(28-22(25(30)31)17-16-19-10-4-1-5-11-19)23(35-27(33)21-14-8-3-9-15-21)18-34-26(32)20-12-6-2-7-13-20/h1-15,22-23H,16-18H2,(H,28,29)(H,30,31)