(4-nitrophenyl)methyl (2S,4S)-2-[(1R)-2-[(4-nitrophenyl)methoxycarbonylamino]-1-oxidanyl-ethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[(1R)-2-[(4-nitrophenyl)methoxycarbonylamino]-1-oxidanyl-ethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[(1R)-1-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(1R)-1-hydroxy-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[(1R)-1-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(1R)-1-hydroxy-2-[(4-nitrobenzyl)oxycarbonylamino]ethyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H24N4O9S MolecularWeight: 520.51236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O9S/c27-20(10-23-21(28)34-12-14-1-5-16(6-2-14)25(30)31)19-9-18(36)11-24(19)22(29)35-13-15-3-7-17(8-4-15)26(32)33/h1-8,18-20,27,36H,9-13H2,(H,23,28)/t18-,19-,20+/m0/s1