(4-nitrophenyl)methyl 2-(4-pyridin-4-ylbutylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-pyridin-4-ylbutylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(4-pyridyl)butylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[oxo-(4-pyridin-4-ylbutylamino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-pyridin-4-ylbutylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[4-(4-pyridyl)butylcarbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCCCC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)NCCCCC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C22H26N4O5S/c27-21(24-10-2-1-3-16-8-11-23-12-9-16)20-13-19(32)14-25(20)22(28)31-15-17-4-6-18(7-5-17)26(29)30/h4-9,11-12,19-20,32H,1-3,10,13-15H2,(H,24,27)