(4-nitrophenyl)methyl (2S,4S)-2-[(4-aminocarbonyl-1,3-thiazol-2-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[(4-aminocarbonyl-1,3-thiazol-2-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[(4-carbamoylthiazol-2-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(4-carbamoyl-2-thiazolyl)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(4-carbamoylthiazol-2-yl)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CC2=NC(=CS2)C(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1[C@@H](CN([C@@H]1CC2=NC(=CS2)C(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H18N4O5S2/c18-16(22)14-9-28-15(19-14)6-12-5-13(27)7-20(12)17(23)26-8-10-1-3-11(4-2-10)21(24)25/h1-4,9,12-13,27H,5-8H2,(H2,18,22)/t12-,13-/m0/s1