N-Acetyl-3,5-Diiodo-L-Tyrosyl-D-Allothreonine

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Properties Simple | Detailed

Formula C15H18I2N2O6
IUPAC Name (2r,3r)-2-[[(2s)-2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]-3-hydroxy-butanoic acid
Molecular Mass 576.122 g·mol−1
Heat of Formation -944.4 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 462.04 Å 3
Surface Area 389.78 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2-[[(2s)-2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]-3-hydroxy-butanoic acid
  • (2r,3r)-2-[[(2s)-2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]-3-hydroxy-butyric acid
  • (2r,3r)-2-[[(2s)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropyl]amino]-3-hydroxybutanoic acid
  • (2r,3r)-2-[[(2s)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]-3-hydroxybutanoic acid
  • n-alpha-acetyl-3,5-diiodotyrosyl-d-threonine
  • threonine derivative
InChIKey TWMKRGDZEJLDDH-LKXWSVAYSA-N
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