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

Systemtic Name: dimethyl (2S,4S,5R)-2-(2-methylpropyl)-5-phenyl-1-(phenylcarbonylcarbamothioyl)pyrrolidine-2,4-dicarboxylate Openeye Name: dimethyl (2S,4S,5R)-1-(benzoylcarbamothioyl)-2-isobutyl-5-phenyl-pyrrolidine-2,4-dicarboxylate CAS Name: (2S,4S,5R)-1-[benzamido(sulfanylidene)methyl]-2-(2-methylpropyl)-5-phenylpyrrolidine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,4S,5R)-1-(benzoylcarbamothioyl)-2-(2-methylpropyl)-5-phenylpyrrolidine-2,4-dicarboxylate Traditional Name: (2S,4S,5R)-1-(benzoylthiocarbamoyl)-2-isobutyl-5-phenyl-pyrrolidine-2,4-dicarboxylic acid dimethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=S)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=S)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H30N2O5S/c1-17(2)15-26(24(31)33-4)16-20(23(30)32-3)21(18-11-7-5-8-12-18)28(26)25(34)27-22(29)19-13-9-6-10-14-19/h5-14,17,20-21H,15-16H2,1-4H3,(H,27,29,34)/t20-,21-,26-/m0/s1