[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N4O9S MolecularWeight: 458.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C17H22N4O9S/c1-3-18-17(25)19-15(23)10(2)30-16(24)13-8-11(22)9-20(13)31(28,29)14-7-5-4-6-12(14)21(26)27/h4-7,10-11,13,22H,3,8-9H2,1-2H3,(H2,18,19,23,25)/t10-,11+,13-/m0/s1