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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[[1,1-dimethyl-2-[(4-nitrophenyl)methoxycarbonylamino]ethoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-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 4-acetylsulfanyl-2-[[2-methyl-1-[(4-nitrophenyl)methoxycarbonylamino]propan-2-yl]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[[1,1-dimethyl-2-[(4-nitrobenzyl)oxycarbonylamino]ethoxy]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H32N4O10S MolecularWeight: 604.62878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC(C)(C)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC(C)(C)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O10S/c1-18(32)42-24-12-23(29(13-24)26(34)40-15-20-6-10-22(11-7-20)31(37)38)16-41-27(2,3)17-28-25(33)39-14-19-4-8-21(9-5-19)30(35)36/h4-11,23-24H,12-17H2,1-3H3,(H,28,33)