2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitro-2H-pyridin-6-yl]sulfanylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitro-2H-pyridin-6-yl]sulfanylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-5-nitro-2H-pyridin-6-yl)sulfanylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-nitro-2H-pyridin-6-yl]thio]amino]propanoic acid IUPAC Name: 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-nitro-2H-pyridin-6-yl]sulfanylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(1-tert-butoxycarbonyl-5-nitro-2H-pyridin-6-yl)thio]amino]-3-mercapto-propionic acid Formula: C13H19N3O6S2 MolecularWeight: 377.43646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=CC(=C1SNC(CS)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=CC(=C1SNC(CS)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O6S2/c1-13(2,3)22-12(19)15-6-4-5-9(16(20)21)10(15)24-14-8(7-23)11(17)18/h4-5,8,14,23H,6-7H2,1-3H3,(H,17,18)