(4-nitrophenyl)methyl 2-[4-azanyl-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-azanyl-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-amino-1-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-3-oxo-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[4-amino-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-oxobutan-2-yl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-amino-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxobutan-2-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[3-amino-3-keto-1-[[(4-nitrobenzyl)oxycarbonylamino]methyl]propyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H27N5O9S MolecularWeight: 561.56428

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(CC(=O)N)CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(CC(=O)N)CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C24H27N5O9S/c25-22(30)9-17(11-26-23(31)37-13-15-1-5-18(6-2-15)28(33)34)21-10-20(39)12-27(21)24(32)38-14-16-3-7-19(8-4-16)29(35)36/h1-8,17,20-21,39H,9-14H2,(H2,25,30)(H,26,31)