1-[(2S)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2S)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2S)-3-benzoylsulfanyl-2-methyl-propanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(2S)-3-(benzoylthio)-2-methyl-propanoyl]-5-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)N2C(CCC2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C(CCC2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-15(14-28-22(27)17-10-6-3-7-11-17)20(24)23-18(12-13-19(23)21(25)26)16-8-4-2-5-9-16/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18?,19?/m1/s1