5-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-3-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-3-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(3-benzoylsulfanyl-2-methyl-propanoyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 5-[3-(benzoylthio)-2-methyl-1-oxopropyl]-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(3-benzoylsulfanyl-2-methylpropanoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 5-[3-(benzoylthio)-2-methyl-propanoyl]-3-phenyl-proline Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)C2CC(C(N2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)C2CC(C(N2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-14(13-28-22(27)16-10-6-3-7-11-16)20(24)18-12-17(19(23-18)21(25)26)15-8-4-2-5-9-15/h2-11,14,17-19,23H,12-13H2,1H3,(H,25,26)