(4-nitrophenyl)methyl 2-(2-oxidanylbutylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-oxidanylbutylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-hydroxybutylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2-hydroxybutylamino)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-hydroxybutylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-hydroxybutylcarbamoyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)O

Isomeric SMILES

CCC(CNC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)O

InChI

InChI=1S/C17H23N3O6S/c1-2-13(21)8-18-16(22)15-7-14(27)9-19(15)17(23)26-10-11-3-5-12(6-4-11)20(24)25/h3-6,13-15,21,27H,2,7-10H2,1H3,(H,18,22)