(4-nitrophenyl)methyl 2-[aminocarbonyl(methyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[aminocarbonyl(methyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[carbamoyl(methyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[carbamoyl(methyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[carbamoyl(methyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[carbamoyl(methyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O6S/c1-17(14(16)21)13(20)12-6-11(26)7-18(12)15(22)25-8-9-2-4-10(5-3-9)19(23)24/h2-5,11-12,26H,6-8H2,1H3,(H2,16,21)