(4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[[[(4-nitrophenyl)methoxy-oxomethyl]-sulfamoylamino]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[[(4-nitrophenyl)methoxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-[[(4-nitrobenzyl)oxycarbonyl-sulfamoyl-amino]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H25N5O11S2 MolecularWeight: 611.6015

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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-])CN(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C23H25N5O11S2/c1-15(29)40-21-10-20(25(12-21)22(30)38-13-16-2-6-18(7-3-16)27(32)33)11-26(41(24,36)37)23(31)39-14-17-4-8-19(9-5-17)28(34)35/h2-9,20-21H,10-14H2,1H3,(H2,24,36,37)/t20-,21-/m0/s1