2,5-Dioxo-1-Pyrrolidinyl N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-3-[(3-Nitro-2-Pyridinyl)Disulfanyl]-L-Alaninate

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Properties Simple | Detailed

Formula C17H21N4O8S2
IUPAC Name (2,5-dioxopyrrolidin-1-yl) (2r)-2-(tert-butoxycarbonylamino)-3-[(3-nitropyridin-1-ium-3-id-2-yl)disulfanyl]propanoate
Molecular Mass 473.501 g·mol−1
Heat of Formation -868.3 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 511.14 Å 3
Surface Area 400.24 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2,5-dioxopyrrolidin-1-yl) (2r)-2-(tert-butoxycarbonylamino)-3-[(3-nitro-2-pyridyl)disulfanyl]propanoate
  • (2,5-dioxopyrrolidin-1-yl) (2r)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitropyridin-2-yl)disulfanyl-propanoate
  • (2,5-dioxopyrrolidin-1-yl) (2r)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitropyridin-2-yl)disulfanylpropanoate
  • (2r)-2-(tert-butoxycarbonylamino)-3-[(3-nitro-2-pyridyl)disulfanyl]propionic acid succinimido ester
  • (2r)-2-[(tert-butoxy-oxomethyl)amino]-3-[(3-nitro-2-pyridyl)disulfanyl]propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
  • boc-cys(npys)-nhs
  • tert-butyloxycarbonyl-(s-(3-nitro-2-pyridinesulfenyl))cysteine-n-hydroxysuccinimide
CAS Number(s)
  • 100108-75-6
InChIKey DDBQOWBWRJCDEQ-JTQLQIEISA-N
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