(2R,3S,5S)-2-Benzyl-3-Hydroxy-5-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-6-Phenylhexanoic Acid

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Properties Simple | Detailed

Formula C24H31NO5
IUPAC Name (2r,3s,5s)-2-benzyl-5-(tert-butoxycarbonylamino)-3-hydroxy-6-phenyl-hexanoic acid
Molecular Mass 413.507 g·mol−1
Heat of Formation -973.9 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 519.8 Å 3
Surface Area 386.52 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5s)-2-(benzyl)-5-(tert-butoxycarbonylamino)-3-hydroxy-6-phenyl-hexanoic acid
  • (2r,3s,5s)-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-2-(phenylmethyl)hexanoic acid
  • (2r,3s,5s)-5-(tert-butoxycarbonylamino)-3-hydroxy-6-phenyl-2-(phenylmethyl)hexanoic acid
  • (2r,3s,5s)-5-[(tert-butoxy-oxomethyl)amino]-3-hydroxy-6-phenyl-2-(phenylmethyl)hexanoic acid
  • benzenehexanoic acid, delta-(((1,1-dimethylethoxy)carbonyl)amino)-beta-hydroxy-alpha-(phenylmethyl)-, (alphar-(alphar*,betas*,deltas*))-
  • boc-f-psi(he)-f
  • boc-phe-psi(ch2ch(oh))-phe
  • delta-(((1,1-dimethylethoxy)carbonyl)amino)-beta-hydroxy-alpha-(phenylmethyl)benzenehexanoic acid (alphar-(alphar*,betas*,deltas*))-
  • tert-butyloxycarbonyl-phenylalanyl-psi(hydroxyethylene)phenyl alanine
CAS Number(s)
  • 155069-09-3
InChIKey NBXWVMMZLWAJFA-HBMCJLEFSA-N
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