(4-nitrophenyl)methyl 2-aminocarbonyl-4-[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-4-[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-4-[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanyl-pyrrolidin-2-yl]pyrrolidine-1-carboxylate CAS Name: 2-carbamoyl-4-[4-mercapto-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-4-[1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidin-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-4-[4-mercapto-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H27N5O9S MolecularWeight: 573.57498

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C25H27N5O9S/c26-23(31)22-9-17(11-27(22)24(32)38-13-15-1-5-18(6-2-15)29(34)35)21-10-20(40)12-28(21)25(33)39-14-16-3-7-19(8-4-16)30(36)37/h1-8,17,20-22,40H,9-14H2,(H2,26,31)