(4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-piperazin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-piperazin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-(piperazine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[2-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-(piperazine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[2-(4-nitrobenzyl)oxycarbonyloxyethyl]-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H31N5O10S MolecularWeight: 617.62754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)CCOC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)CCOC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O10S/c33-24(29-12-10-28-11-13-29)27(9-14-40-26(35)42-18-20-3-7-22(8-4-20)32(38)39)15-23(43)16-30(27)25(34)41-17-19-1-5-21(6-2-19)31(36)37/h1-8,23,28,43H,9-18H2