(4-nitrophenyl)methyl 2-[(2-aminocarbonylpyrrolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-aminocarbonylpyrrolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-carbamoylpyrrolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2-carbamoyl-1-pyrrolidinyl)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-carbamoylpyrrolidin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-carbamoylpyrrolidino)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N

Isomeric SMILES

C1CC(N(C1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N

InChI

InChI=1S/C18H24N4O5S/c19-17(23)16-2-1-7-20(16)9-14-8-15(28)10-21(14)18(24)27-11-12-3-5-13(6-4-12)22(25)26/h3-6,14-16,28H,1-2,7-11H2,(H2,19,23)