N-Acetylphenylalanyl-3,5-Diiodo-L-Tyrosine

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Properties Simple | Detailed

Formula C20H20I2N2O5
IUPAC Name (2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
Molecular Mass 622.192 g·mol−1
Heat of Formation -638.8 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 545.77 Å 3
Surface Area 427.19 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
  • (2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
  • (2s)-2-[[(2s)-2-acetamido-3-phenyl-propanoyl]amino]-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid
  • n-acetyl-l-phenylalanyl-l-diiodotyrosine
InChIKey DWIHCEZUWCRUES-IRXDYDNUSA-N
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