butanedioic acid; 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: butanedioic acid; 1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid; succinic acid CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid; butanedioic acid IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid; butanedioic acid Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-4-(phenylthio)proline; succinic acid Formula: C26H29NO8S2 MolecularWeight: 547.64036

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H23NO4S2.C4H6O4/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17;5-3(6)1-2-4(7)8/h2-11,15,18-19H,12-14H2,1H3,(H,25,26);1-2H2,(H,5,6)(H,7,8)