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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoyl-2-[3-(methoxymethylamino)-2-methyl-3-oxidanylidene-1-sulfanyl-propyl]-2-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetyl-2-[3-(methoxymethylamino)-2-methyl-3-oxo-1-sulfanyl-propyl]-2-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-acetyl-2-mercapto-2-[1-mercapto-3-(methoxymethylamino)-2-methyl-3-oxopropyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetyl-2-[3-(methoxymethylamino)-2-methyl-3-oxo-1-sulfanylpropyl]-2-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-acetyl-2-[3-keto-1-mercapto-3-(methoxymethylamino)-2-methyl-propyl]-2-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H27N3O7S2 MolecularWeight: 485.57428

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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)NCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O7S2/c1-12(18(25)21-11-29-3)17(31)20(32)8-15(13(2)24)9-22(20)19(26)30-10-14-4-6-16(7-5-14)23(27)28/h4-7,12,15,17,31-32H,8-11H2,1-3H3,(H,21,25)