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

Systemtic Name: 4-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-benzoylsulfanyl-2-methyl-propanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-benzoylsulfanyl-2-methylpropanoyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 4-[3-(benzoylthio)-2-methyl-propanoyl]-4-(phenylthio)proline Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)C2(CC(NC2)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)C2(CC(NC2)C(=O)O)SC3=CC=CC=C3

InChI

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