N-Acetyl-3,5-Diiodo-O-(4-Nitrobenzyl)-L-Tyrosine

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Properties Simple | Detailed

Formula C18H16I2N2O6
IUPAC Name (2s)-2-acetamido-3-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid
Molecular Mass 610.138 g·mol−1
Heat of Formation -444.7 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 499.68 Å 3
Surface Area 398.22 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-[3,5-diiodo-4-(4-nitrobenzyl)oxy-phenyl]propionic acid
  • (2s)-2-acetamido-3-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid
  • 4-nitrobenzyloxy-n-acetyl-3,5-diiodotyrosine
  • l-tyrosine, n-acetyl-3,5-diiodo-o-((4-nitrophenyl)methyl)-
  • n-acetyldiiodotyrosine p-nitrobenzyl ether
  • p-nitrobenzyloxy-n-acetyldiiodotyrosine
  • para-nitrobenzyloxy-n-acetyldiiodotyrosin
CAS Number(s)
  • 64700-62-5
InChIKey VTKCEYGBZFZQBM-INIZCTEOSA-N
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