1-[3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(4-methoxybenzoyl)sulfanyl-2-methyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[[(4-methoxyphenyl)-oxomethyl]thio]-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(4-methoxybenzoyl)sulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-3-(p-anisoylthio)propanoyl]-4-(phenylthio)proline Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C23H25NO5S2/c1-15(14-30-23(28)16-8-10-17(29-2)11-9-16)21(25)24-13-19(12-20(24)22(26)27)31-18-6-4-3-5-7-18/h3-11,15,19-20H,12-14H2,1-2H3,(H,26,27)