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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-oxidanylpropylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-hydroxypropylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2-hydroxypropylamino)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-hydroxypropylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-hydroxypropylcarbamoyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S/c1-10(20)7-17-15(21)14-6-13(26)8-18(14)16(22)25-9-11-2-4-12(5-3-11)19(23)24/h2-5,10,13-14,20,26H,6-9H2,1H3,(H,17,21)