dimethyl (2R,4S,5R)-5-phenyl-1-(phenylcarbonylcarbamothioyl)-2-(phenylmethyl)pyrrolidine-2,4-dicarboxylate

Systemtic Name: dimethyl (2R,4S,5R)-5-phenyl-1-(phenylcarbonylcarbamothioyl)-2-(phenylmethyl)pyrrolidine-2,4-dicarboxylate Openeye Name: dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2-benzyl-5-phenyl-pyrrolidine-2,4-dicarboxylate CAS Name: (2R,4S,5R)-1-[benzamido(sulfanylidene)methyl]-5-phenyl-2-(phenylmethyl)pyrrolidine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2-benzyl-5-phenylpyrrolidine-2,4-dicarboxylate Traditional Name: (2R,4S,5R)-1-(benzoylthiocarbamoyl)-2-benzyl-5-phenyl-pyrrolidine-2,4-dicarboxylic acid dimethyl ester Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1C[C@@](N([C@H]1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H28N2O5S/c1-35-26(33)23-19-29(27(34)36-2,18-20-12-6-3-7-13-20)31(24(23)21-14-8-4-9-15-21)28(37)30-25(32)22-16-10-5-11-17-22/h3-17,23-24H,18-19H2,1-2H3,(H,30,32,37)/t23-,24-,29-/m0/s1