1-[2-methyl-3-(2-phenylethanoylsulfanyl)propanoyl]-4-(4-methylsulfanylphenyl)carbonyloxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-methyl-3-(2-phenylethanoylsulfanyl)propanoyl]-4-(4-methylsulfanylphenyl)carbonyloxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-methyl-3-(2-phenylacetyl)sulfanyl-propanoyl]-4-(4-methylsulfanylbenzoyl)oxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-methyl-1-oxo-3-[(1-oxo-2-phenylethyl)thio]propyl]-4-[[4-(methylthio)phenyl]-oxomethoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-methyl-3-(2-phenylacetyl)sulfanylpropanoyl]-4-(4-methylsulfanylbenzoyl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-methyl-3-[(2-phenylacetyl)thio]propanoyl]-4-[4-(methylthio)benzoyl]oxy-proline Formula: C25H27NO6S2 MolecularWeight: 501.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)OC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(CSC(=O)CC1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)OC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C25H27NO6S2/c1-16(15-34-22(27)12-17-6-4-3-5-7-17)23(28)26-14-19(13-21(26)24(29)30)32-25(31)18-8-10-20(33-2)11-9-18/h3-11,16,19,21H,12-15H2,1-2H3,(H,29,30)