N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-γ-Glutamyl-N~6~-[(Benzyloxy)Carbonyl]-N-[(1S)-1-(Dihydroxyboryl)Ethyl]-L-Lysinamide

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Properties Simple | Detailed

Formula C26H41BN4O10
IUPAC Name (2s)-5-[[(1s)-5-(benzyloxycarbonylamino)-1-[[(1s)-1-boronoethyl]carbamoyl]pentyl]amino]-2-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid
Molecular Mass 580.436 g·mol−1
Heat of Formation -2240.6 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 713.19 Å 3
Surface Area 637.64 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-[[(1s)-1-[[(1s)-1-boronoethyl]carbamoyl]-5-(phenylmethoxycarbonylamino)pentyl]amino]-2-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid
  • (2s)-5-[[(1s)-1-[[[(1s)-1-boronoethyl]amino]-oxomethyl]-5-[[oxo-(phenylmethoxy)methyl]amino]pentyl]amino]-2-[(tert-butoxy-oxomethyl)amino]-5-oxopentanoic acid
  • (2s)-5-[[(1s)-5-(benzyloxycarbonylamino)-1-[[(1s)-1-boronoethyl]carbamoyl]pentyl]amino]-2-(tert-butoxycarbonylamino)-5-keto-valeric acid
  • (2s)-5-[[(2s)-1-[[(1s)-1-(dihydroxyboranyl)ethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-pentanoic acid
  • (2s)-5-[[(2s)-1-[[(1s)-1-boronoethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
  • boc-gamma-d-glu-l-lys(cbz)-d-boroala
  • n1-[(1r)-1-(dihydroxyboryl)ethyl]-n2-[(tert-butoxycarbonyl)-d-gamma-glutamyl]-n6-[(benzyloxy)carbonyl-l-lysinamide
InChIKey OTTYWVUOPWENAJ-HOJAQTOUSA-N
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