(4-nitrophenyl)methyl 2-aminocarbonyl-4-[5-nitro-2-[(3-sulfanylpyrrolidin-1-yl)carbonyloxymethyl]phenyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-4-[5-nitro-2-[(3-sulfanylpyrrolidin-1-yl)carbonyloxymethyl]phenyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-4-[5-nitro-2-[(3-sulfanylpyrrolidine-1-carbonyl)oxymethyl]phenyl]pyrrolidine-1-carboxylate CAS Name: 2-carbamoyl-4-[2-[[(3-mercapto-1-pyrrolidinyl)-oxomethoxy]methyl]-5-nitrophenyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-4-[5-nitro-2-[(3-sulfanylpyrrolidine-1-carbonyl)oxymethyl]phenyl]pyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-4-[2-[(3-mercaptopyrrolidine-1-carbonyl)oxymethyl]-5-nitro-phenyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H27N5O9S MolecularWeight: 573.57498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CN(CC1S)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

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