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

Systemtic Name: methyl 1-[2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]ethanoyl]-5-(2-methylphenyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]acetyl]-5-(o-tolyl)pyrrolidine-2-carboxylate CAS Name: 1-[2-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-5-(2-methylphenyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]acetyl]-5-(2-methylphenyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-(acetylthio)-3-phenyl-propanoyl]amino]acetyl]-5-(o-tolyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5S/c1-17-9-7-8-12-20(17)21-13-14-22(26(32)33-3)28(21)24(30)16-27-25(31)23(34-18(2)29)15-19-10-5-4-6-11-19/h4-12,21-23H,13-16H2,1-3H3,(H,27,31)