(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitropyridin-2-yl)disulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitropyridin-2-yl)disulfanyl]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(3-nitro-2-pyridinyl)disulfanyl]propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitropyridin-2-yl)disulfanyl]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[(3-nitro-2-pyridyl)disulfanyl]propionic acid Formula: C13H17N3O6S2 MolecularWeight: 375.42058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSSC1=C(C=CC=N1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CSSC1=C(C=CC=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H17N3O6S2/c1-13(2,3)22-12(19)15-8(11(17)18)7-23-24-10-9(16(20)21)5-4-6-14-10/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)/t8-/m1/s1