(4-nitrophenyl)methyl (2S,4S)-2-(3-methylimidazolidin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-(3-methylimidazolidin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-(3-methylimidazolidine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(3-methyl-1-imidazolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-(3-methylimidazolidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-(3-methylimidazolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C1)C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CCN(C1)C(=O)[C@@H]2C[C@@H](CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H22N4O5S/c1-18-6-7-19(11-18)16(22)15-8-14(27)9-20(15)17(23)26-10-12-2-4-13(5-3-12)21(24)25/h2-5,14-15,27H,6-11H2,1H3/t14-,15-/m0/s1