[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1CC(CN1S(=O)(=O)C2=CC(=C(C=C2)C)C)O

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC(=C(C=C2)C)C)O

InChI

InChI=1S/C20H30N2O6S/c1-5-15(6-2)21-19(24)12-28-20(25)18-10-16(23)11-22(18)29(26,27)17-8-7-13(3)14(4)9-17/h7-9,15-16,18,23H,5-6,10-12H2,1-4H3,(H,21,24)/t16-,18+/m1/s1