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

Systemtic Name: methyl 1-[2-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]ethanoyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]acetyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate CAS Name: 1-[2-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]-5-(2-hydroxyphenyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]acetyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-(acetylthio)-3-phenyl-propanoyl]amino]acetyl]-5-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NCC(=O)N2C(CCC2C(=O)OC)C3=CC=CC=C3O

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)NCC(=O)N2C(CCC2C(=O)OC)C3=CC=CC=C3O

InChI

InChI=1S/C25H28N2O6S/c1-16(28)34-22(14-17-8-4-3-5-9-17)24(31)26-15-23(30)27-19(12-13-20(27)25(32)33-2)18-10-6-7-11-21(18)29/h3-11,19-20,22,29H,12-15H2,1-2H3,(H,26,31)