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

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[[(4-nitrophenyl)methoxy-oxomethyl]-sulfamoylamino]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[[(4-nitrophenyl)methoxycarbonyl-sulfamoylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[[(4-nitrobenzyl)oxycarbonyl-sulfamoyl-amino]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H23N5O10S2 MolecularWeight: 569.56482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O10S2/c22-38(33,34)24(21(28)36-13-15-3-7-17(8-4-15)26(31)32)10-18-9-19(37)11-23(18)20(27)35-12-14-1-5-16(6-2-14)25(29)30/h1-8,18-19,37H,9-13H2,(H2,22,33,34)/t18-,19-/m0/s1