N-.α.-T-Boc-L-Histidine

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Properties Simple | Detailed

Formula C11H17N3O4
IUPAC Name (2s)-2-(tert-butoxycarbonylamino)-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 255.270 g·mol−1
Heat of Formation -739.6 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 308.93 Å 3
Surface Area 273.58 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(tert-butoxycarbonylamino)-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-(tert-butoxycarbonylamino)-3-(3h-imidazol-4-yl)propionic acid
  • (2s)-2-[(tert-butoxy-oxomethyl)amino]-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-3-(3h-imidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
  • boc-his-oh
  • nalpha-(tert-butoxycarbonyl)-l-histidine
  • tert-butyloxycarbonyl-l-histidine
InChIKey AYMLQYFMYHISQO-QMMMGPOBSA-N
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