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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(methoxymethylamino)-2-methyl-3-oxidanylidene-1-sulfanyl-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(methoxymethylamino)-2-methyl-3-oxo-1-sulfanyl-propyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[1-mercapto-3-(methoxymethylamino)-2-methyl-3-oxopropyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(methoxymethylamino)-2-methyl-3-oxo-1-sulfanylpropyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[3-keto-1-mercapto-3-(methoxymethylamino)-2-methyl-propyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H25N3O6S2 MolecularWeight: 443.5376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)S)C(=O)NCOC

Isomeric SMILES

CC(C(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)S)C(=O)NCOC

InChI

InChI=1S/C18H25N3O6S2/c1-11(17(22)19-10-26-2)16(29)15-7-14(28)8-20(15)18(23)27-9-12-3-5-13(6-4-12)21(24)25/h3-6,11,14-16,28-29H,7-10H2,1-2H3,(H,19,22)