(3S)-4-(Benzyloxy)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C16H21NO6
IUPAC Name (3s)-4-benzyloxy-3-(tert-butoxycarbonylamino)-4-oxo-butanoic acid
Molecular Mass 323.341 g·mol−1
Heat of Formation -1119.4 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 394.3 Å 3
Surface Area 353.98 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(tert-butoxycarbonylamino)-4-oxo-4-(phenylmethoxy)butanoic acid
  • (3s)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(phenylmethoxy)butanoic acid
  • (3s)-3-[(tert-butoxy-oxomethyl)amino]-4-oxo-4-(phenylmethoxy)butanoic acid
  • (3s)-4-(benzyloxy)-3-(tert-butoxycarbonylamino)-4-keto-butyric acid
  • boc-asp-obzl
  • boc-l-aspartic acid 1-benzyl ester
InChIKey LDRWTKQWSXGSTM-LBPRGKRZSA-N
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