(4-nitrophenyl)methyl 2-[3-(aminomethylamino)-2-methyl-3-oxidanylidene-1-sulfanyl-propyl]-4-ethanoyl-2-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(aminomethylamino)-2-methyl-3-oxidanylidene-1-sulfanyl-propyl]-4-ethanoyl-2-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetyl-2-[3-(aminomethylamino)-2-methyl-3-oxo-1-sulfanyl-propyl]-2-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-acetyl-2-[3-(aminomethylamino)-1-mercapto-2-methyl-3-oxopropyl]-2-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetyl-2-[3-(aminomethylamino)-2-methyl-3-oxo-1-sulfanylpropyl]-2-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-acetyl-2-[3-(aminomethylamino)-3-keto-1-mercapto-2-methyl-propyl]-2-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H26N4O6S2 MolecularWeight: 470.56294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C)S)S)C(=O)NCN

Isomeric SMILES

CC(C(C1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C)S)S)C(=O)NCN

InChI

InChI=1S/C19H26N4O6S2/c1-11(17(25)21-10-20)16(30)19(31)7-14(12(2)24)8-22(19)18(26)29-9-13-3-5-15(6-4-13)23(27)28/h3-6,11,14,16,30-31H,7-10,20H2,1-2H3,(H,21,25)