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

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]pentanedioic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]pentanedioic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]pentanedioic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]glutaric acid Formula: C22H21NO7S2 MolecularWeight: 475.53464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO7S2/c24-18(25)12-11-16(20(27)28)23-19(26)17(32-22(30)15-9-5-2-6-10-15)13-31-21(29)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,23,26)(H,24,25)(H,27,28)