5-(2-methylphenyl)-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(2-methylphenyl)-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(o-tolyl)-1-[2-[(3-phenyl-2-sulfanyl-propanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-1-oxoethyl]-5-(2-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-methylphenyl)-1-[2-[(3-phenyl-2-sulfanylpropanoyl)amino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-mercapto-3-phenyl-propanoyl)amino]acetyl]-5-(o-tolyl)proline Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCC(N2C(=O)CNC(=O)C(CC3=CC=CC=C3)S)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2CCC(N2C(=O)CNC(=O)C(CC3=CC=CC=C3)S)C(=O)O

InChI

InChI=1S/C23H26N2O4S/c1-15-7-5-6-10-17(15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-8-3-2-4-9-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)