Benzyl N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Phenylalaninate

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Properties Simple | Detailed

Formula C21H25NO4
IUPAC Name benzyl (2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate
Molecular Mass 355.428 g·mol−1
Heat of Formation -664.8 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 449.98 Å 3
Surface Area 357.84 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid benzyl ester
  • (2s)-2-[(tert-butoxy-oxomethyl)amino]-3-phenylpropanoic acid phenylmethyl ester
  • boc-phe-benzyl ester
  • l-phenylalanine, n-((1,1-dimethylethoxy)carbonyl)-, phenylmethyl ester
  • n-tert-butoxycarbonylphenylalanine benzyl ester
  • n-tert-butyloxycarbonyl-l-phenylalanine benzyl ester
  • phenylmethyl (2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate
  • phenylmethyl (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate
  • phenylmethyl (2s)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CAS Number(s)
  • 66617-58-1
InChIKey MBGXOZTZHRIZRO-SFHVURJKSA-N
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