(4-nitrophenyl)methyl 2-[[2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]sulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]sulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[2-acetoxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]sulfanylmethyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-[[[2-acetyloxy-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propyl]thio]methyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]sulfanylmethyl]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-[[[2-acetoxy-3-[(4-nitrobenzyl)oxycarbonylamino]propyl]thio]methyl]-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H30N4O11S MolecularWeight: 606.6016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])CSCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)OC(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])CSCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C26H30N4O11S/c1-17(31)41-24(11-27-25(33)39-13-18-2-6-20(7-3-18)29(35)36)16-42-15-22-10-23(32)12-28(22)26(34)40-14-19-4-8-21(9-5-19)30(37)38/h2-9,22-24,32H,10-16H2,1H3,(H,27,33)