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

Systemtic Name: (4-nitrophenyl)methyl 2-[4-azanyl-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butan-2-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-amino-1-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-3-oxo-propyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[4-amino-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-oxobutan-2-yl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-amino-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxobutan-2-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[3-amino-3-keto-1-[[(4-nitrobenzyl)oxycarbonylamino]methyl]propyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H29N5O12S MolecularWeight: 623.58906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(CC(=O)N)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(CC(=O)N)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O12S/c1-43(38,39)42-21-11-22(28(13-21)25(33)41-15-17-4-8-20(9-5-17)30(36)37)18(10-23(26)31)12-27-24(32)40-14-16-2-6-19(7-3-16)29(34)35/h2-9,18,21-22H,10-15H2,1H3,(H2,26,31)(H,27,32)