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

Systemtic Name: 1-[2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]ethanoyl]-5-(2-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]acetyl]-5-(o-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-5-(2-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]acetyl]-5-(2-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-(acetylthio)-3-phenyl-propanoyl]amino]acetyl]-5-(o-tolyl)proline Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-16-8-6-7-11-19(16)20-12-13-21(25(31)32)27(20)23(29)15-26-24(30)22(33-17(2)28)14-18-9-4-3-5-10-18/h3-11,20-22H,12-15H2,1-2H3,(H,26,30)(H,31,32)