(4-nitrophenyl)methyl 4-ethanoylsulfanyl-3-[(4-nitrophenyl)methoxycarbonylamino]-2-(1-oxidanylpropyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-3-[(4-nitrophenyl)methoxycarbonylamino]-2-(1-oxidanylpropyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-hydroxypropyl)-3-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-hydroxypropyl)-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-hydroxypropyl)-3-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1-hydroxypropyl)-3-[(4-nitrobenzyl)oxycarbonylamino]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H28N4O10S MolecularWeight: 576.57562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC(C1C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C25H28N4O10S/c1-3-20(31)23-22(26-24(32)38-13-16-4-8-18(9-5-16)28(34)35)21(40-15(2)30)12-27(23)25(33)39-14-17-6-10-19(11-7-17)29(36)37/h4-11,20-23,31H,3,12-14H2,1-2H3,(H,26,32)