[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H20FN3O6S MolecularWeight: 401.409903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)OC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H20FN3O6S/c1-10(14(21)19-16(23)18-2)26-15(22)13-4-3-9-20(13)27(24,25)12-7-5-11(17)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H2,18,19,21,23)/t10-,13+/m1/s1