(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-nitropyridin-2-yl)sulfanyl-amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-nitropyridin-2-yl)sulfanyl-amino]-3-sulfanyl-propanoic acid Openeye Name: (2S)-2-[tert-butoxycarbonyl-[(3-nitro-2-pyridyl)sulfanyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2S)-3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(3-nitro-2-pyridinyl)thio]amino]propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-nitropyridin-2-yl)sulfanylamino]-3-sulfanylpropanoic acid Traditional Name: (2S)-2-[tert-butoxycarbonyl-[(3-nitro-2-pyridyl)thio]amino]-3-mercapto-propionic acid Formula: C13H17N3O6S2 MolecularWeight: 375.42058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N([C@H](CS)C(=O)O)SC1=C(C=CC=N1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S2/c1-13(2,3)22-12(19)15(9(7-23)11(17)18)24-10-8(16(20)21)5-4-6-14-10/h4-6,9,23H,7H2,1-3H3,(H,17,18)/t9-/m1/s1