(4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[(tert-butoxycarbonylsulfamoylamino)methyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]sulfamoylamino]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-[(tert-butoxycarbonylsulfamoylamino)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H28N4O9S2 MolecularWeight: 532.58772

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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-])CNS(=O)(=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CNS(=O)(=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N4O9S2/c1-13(25)34-17-9-16(10-21-35(30,31)22-18(26)33-20(2,3)4)23(11-17)19(27)32-12-14-5-7-15(8-6-14)24(28)29/h5-8,16-17,21H,9-12H2,1-4H3,(H,22,26)/t16-,17-/m0/s1