(4-nitrophenyl)methyl 2-azanyl-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-azanyl-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-amino-2-(pyrrolidine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-amino-4-mercapto-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-amino-2-(pyrrolidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-amino-4-mercapto-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)N

Isomeric SMILES

C1CCN(C1)C(=O)C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)N

InChI

InChI=1S/C17H22N4O5S/c18-17(15(22)19-7-1-2-8-19)9-14(27)10-20(17)16(23)26-11-12-3-5-13(6-4-12)21(24)25/h3-6,14,27H,1-2,7-11,18H2