bis[(4-nitrophenyl)methyl] 2-aminocarbonyl-4-piperazin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1,3-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 2-aminocarbonyl-4-piperazin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1,3-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 2-carbamoyl-4-(piperazine-1-carbonyl)-4-sulfanyl-pyrrolidine-1,3-dicarboxylate CAS Name: 2-carbamoyl-4-mercapto-4-[oxo(1-piperazinyl)methyl]pyrrolidine-1,3-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 2-carbamoyl-4-(piperazine-1-carbonyl)-4-sulfanylpyrrolidine-1,3-dicarboxylate Traditional Name: 2-carbamoyl-4-mercapto-4-(piperazine-1-carbonyl)pyrrolidine-1,3-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C26H28N6O10S MolecularWeight: 616.59972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2(CN(C(C2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1CN(CCN1)C(=O)C2(CN(C(C2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C26H28N6O10S/c27-22(33)21-20(23(34)41-13-16-1-5-18(6-2-16)31(37)38)26(43,24(35)29-11-9-28-10-12-29)15-30(21)25(36)42-14-17-3-7-19(8-4-17)32(39)40/h1-8,20-21,28,43H,9-15H2,(H2,27,33)