(4-nitrophenyl)methyl 2-(3-pyridin-4-ylpropylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-pyridin-4-ylpropylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(4-pyridyl)propylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[oxo-(3-pyridin-4-ylpropylamino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-pyridin-4-ylpropylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[3-(4-pyridyl)propylcarbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCCC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)NCCCC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C21H24N4O5S/c26-20(23-9-1-2-15-7-10-22-11-8-15)19-12-18(31)13-24(19)21(27)30-14-16-3-5-17(6-4-16)25(28)29/h3-8,10-11,18-19,31H,1-2,9,12-14H2,(H,23,26)