(4-nitrophenyl)methyl 2-aminocarbonyl-2-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-2-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-2-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-carbamoyl-4-mercapto-2-[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-2-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-4-mercapto-2-[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H27N5O9S MolecularWeight: 573.57498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1C2(CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S)C(=O)N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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