N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-3-[(3-Nitro-2-Pyridinyl)Disulfanyl]-L-Alanine

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Properties Simple | Detailed

Formula C13H17N3O6S2
IUPAC Name (2r)-2-(tert-butoxycarbonylamino)-3-[(5-nitro-3h-pyridin-1-ium-3-id-6-yl)disulfanyl]propanoic acid
Molecular Mass 375.421 g·mol−1
Heat of Formation -701.7 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 411.17 Å 3
Surface Area 343.09 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(tert-butoxycarbonylamino)-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid
  • (2r)-2-(tert-butoxycarbonylamino)-3-[(3-nitro-2-pyridyl)disulfanyl]propionic acid
  • (2r)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitropyridin-2-yl)disulfanyl-propanoic acid
  • (2r)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitropyridin-2-yl)disulfanylpropanoic acid
  • (2r)-2-[(tert-butoxy-oxomethyl)amino]-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid
  • boc-cys(npys)
  • boc-cys(npys)-oh
  • l-alanine, n-((1,1-dimethylethoxy)carbonyl)-3-((3-nitro-2-pyridinyl)dithio)-
  • nalpha-boc-s-(3-nitro-2-pyridylthio)-l-cysteine
  • t-bcnp
  • t-butyloxycarbonyl-(s-(3-nitro-2-pyridinesulfenyl))cysteine
CAS Number(s)
  • 76880-29-0
InChIKey OVTLOLNDKQUMRH-QMMMGPOBSA-N
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