(4S)-4-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-5-Oxo-5-Phenoxypentanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C16H21NO6
IUPAC Name (4s)-4-(tert-butoxycarbonylamino)-5-oxo-5-phenoxy-pentanoic acid
Molecular Mass 323.341 g·mol−1
Heat of Formation -1118.8 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 387.09 Å 3
Surface Area 351.37 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-(tert-butoxycarbonylamino)-5-keto-5-(phenoxy)valeric acid
  • (4s)-4-(tert-butoxycarbonylamino)-5-oxo-5-(phenoxy)pentanoic acid
  • (4s)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(phenoxy)pentanoic acid
  • (4s)-4-[(tert-butoxy-oxomethyl)amino]-5-oxo-5-(phenoxy)pentanoic acid
  • boc-glu-oph
  • boc-gluoph
  • boc-l-glutamic acid 1-phenyl ester
  • l-glutamic acid, n-((1,1-dimethylethoxy)carbonyl)-, 1-phenyl ester
  • n-t-boc-l-glutamic acid alpha-phenyl ester
  • n-t-butyloxycarbonyl-glutamic acid alpha phenyl ester
CAS Number(s)
  • 59587-94-9
InChIKey UUGORLVQLJSWBX-LBPRGKRZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N