2-azanyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-nitropyridin-2-yl)sulfanyl-4-oxidanylidene-3-sulfanyl-butanoic acid

Systemtic Name: 2-azanyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-nitropyridin-2-yl)sulfanyl-4-oxidanylidene-3-sulfanyl-butanoic acid Openeye Name: 2-amino-4-tert-butoxy-2-[(3-nitro-2-pyridyl)sulfanyl]-4-oxo-3-sulfanyl-butanoic acid CAS Name: 2-amino-3-mercapto-4-[(2-methylpropan-2-yl)oxy]-2-[(3-nitro-2-pyridinyl)thio]-4-oxobutanoic acid IUPAC Name: 2-amino-4-[(2-methylpropan-2-yl)oxy]-2-(3-nitropyridin-2-yl)sulfanyl-4-oxo-3-sulfanylbutanoic acid Traditional Name: 2-amino-4-tert-butoxy-4-keto-3-mercapto-2-[(3-nitro-2-pyridyl)thio]butyric acid Formula: C13H17N3O6S2 MolecularWeight: 375.42058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C(=O)O)(N)SC1=C(C=CC=N1)[N+](=O)[O-])S

Isomeric SMILES

CC(C)(C)OC(=O)C(C(C(=O)O)(N)SC1=C(C=CC=N1)[N+](=O)[O-])S

InChI

InChI=1S/C13H17N3O6S2/c1-12(2,3)22-10(17)8(23)13(14,11(18)19)24-9-7(16(20)21)5-4-6-15-9/h4-6,8,23H,14H2,1-3H3,(H,18,19)