(4-nitrophenyl)methyl (2S,4S)-2-[(2-oxidanylidene-1H-imidazol-3-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[(2-oxidanylidene-1H-imidazol-3-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[(2-oxo-1H-imidazol-3-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(2-oxo-1H-imidazol-3-yl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[(2-oxo-1H-imidazol-3-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(2-keto-4-imidazolin-1-yl)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN2C=CNC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1[C@@H](CN([C@@H]1CN2C=CNC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H18N4O5S/c21-15-17-5-6-18(15)8-13-7-14(26)9-19(13)16(22)25-10-11-1-3-12(4-2-11)20(23)24/h1-6,13-14,26H,7-10H2,(H,17,21)/t13-,14-/m0/s1