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

Systemtic Name: (4-nitrophenyl)methyl 2-[[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanyl-propyl]sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[2-hydroxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[[2-hydroxy-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propyl]thio]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-hydroxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]sulfanylmethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[[2-hydroxy-3-[(4-nitrobenzyl)oxycarbonylamino]propyl]thio]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H28N4O9S2 MolecularWeight: 580.63052

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSCC(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CSCC(CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C24H28N4O9S2/c29-21(10-25-23(30)36-12-16-1-5-18(6-2-16)27(32)33)15-39-14-20-9-22(38)11-26(20)24(31)37-13-17-3-7-19(8-4-17)28(34)35/h1-8,20-22,29,38H,9-15H2,(H,25,30)