(4-nitrophenyl)methyl (2S,5S)-2-(methylcarbamoyl)-5-sulfanyl-piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,5S)-2-(methylcarbamoyl)-5-sulfanyl-piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5S)-2-(methylcarbamoyl)-5-sulfanyl-piperidine-1-carboxylate CAS Name: (2S,5S)-5-mercapto-2-(methylcarbamoyl)-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5S)-2-(methylcarbamoyl)-5-sulfanylpiperidine-1-carboxylate Traditional Name: (2S,5S)-5-mercapto-2-(methylcarbamoyl)piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CNC(=O)[C@@H]1CC[C@@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C15H19N3O5S/c1-16-14(19)13-7-6-12(24)8-17(13)15(20)23-9-10-2-4-11(5-3-10)18(21)22/h2-5,12-13,24H,6-9H2,1H3,(H,16,19)/t12-,13-/m0/s1