(4-nitrophenyl)methyl (2S,4S)-2-[(sulfamoylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[(sulfamoylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[(sulfamoylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(sulfamoylamino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[(sulfamoylamino)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H18N4O6S2 MolecularWeight: 390.43522

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CNS(=O)(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O6S2/c14-25(21,22)15-6-11-5-12(24)7-16(11)13(18)23-8-9-1-3-10(4-2-9)17(19)20/h1-4,11-12,15,24H,5-8H2,(H2,14,21,22)/t11-,12-/m0/s1