1-[(2,2-Dimethylpropanoyl)Oxy]Ethyl 3-Hydroxy-α-Methyl-L-Tyrosinate

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Properties Simple | Detailed

Formula C17H25NO6
IUPAC Name [(1r)-1-[(2s)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoyl]oxyethyl] 2,2-dimethylpropanoate
Molecular Mass 339.384 g·mol−1
Heat of Formation -1190.7 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 408.73 Å 3
Surface Area 324.28 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [(1r)-1-[(2s)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-1-oxopropoxy]ethyl] ester
  • 2,2-dimethylpropionic acid [(1r)-1-[(2s)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoyl]oxyethyl] ester
  • [(1r)-1-[(2s)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoyl]oxyethyl] 2,2-dimethylpropanoate
  • [(1r)-1-[(2s)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoyl]oxyethyl] 2,2-dimethylpropanoate
InChIKey IFDYIWPAJKYNTO-QGHHPUGFSA-N
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