2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C28H27NO7S2 MolecularWeight: 553.64648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C28H27NO7S2/c1-35-22-14-13-18(16-23(22)36-2)15-21(26(31)32)29-25(30)24(38-28(34)20-11-7-4-8-12-20)17-37-27(33)19-9-5-3-6-10-19/h3-14,16,21,24H,15,17H2,1-2H3,(H,29,30)(H,31,32)