(4-nitrophenyl)methyl 2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[1,1-dimethyl-2-[(4-nitrophenyl)methoxycarbonylamino]ethoxy]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[2-methyl-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propan-2-yl]oxymethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[1,1-dimethyl-2-[(4-nitrobenzyl)oxycarbonylamino]ethoxy]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H30N4O9S MolecularWeight: 562.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C25H30N4O9S/c1-25(2,16-26-23(30)36-13-17-3-7-19(8-4-17)28(32)33)38-15-21-11-22(39)12-27(21)24(31)37-14-18-5-9-20(10-6-18)29(34)35/h3-10,21-22,39H,11-16H2,1-2H3,(H,26,30)