N-Acetyl-3,5-diiodo-L-tyrosine
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N-Acetyl-3,5-diiodo-L-tyrosine
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CAS No:
1027-28-7
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Formula:
C11H11I2NO4
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Chemical Name:
N-Acetyl-3,5-diiodo-L-tyrosine
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Synonyms:
L-Tyrosine,N-acetyl-3,5-diiodo-;Tyrosine,N-acetyl-3,5-diiodo-,L-;N-Acetyl-3,5-diiodo-L-tyrosine;3,5-Diiodo-N-acetyl-L-tyrosine;NSC 76100;N-Acetyl-3,5-diiodotyrosine;(2S)-2-Acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;76733-10-3
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CAS No:
Characteristics
86.6
2.1
White Powder
2.206±0.06 g/cm3(Predicted)
198-200 °C
532.9±50.0 °C(Predicted)
276.1±30.1 °C
1.693
−20°C
3.47E-12mmHg at 25°C
N-Acetyl-3,5-diiodo-L-tyrosine Use and Manufacturing
Tyrosine is first iodinated with iodine and hydrochloric acid to produce 3, 5-diiodotyrosine, and then acylated with acetic anhydride to obtain the product.
N-Acetyl-3,5-diiodo-L-tyrosine has been used in the modeling system to study thyroid hormone biosynthesis.N-Acetyl-3,5-diiodo-L-tyrosine was also investigated for its ability to inhibit pepsin-catalyzed hydrolysis to determine the substrate binding region of the active center of the enzyme.
Computed Properties
Molecular Weight:475.02
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:474.87775
Monoisotopic Mass:474.87775
Topological Polar Surface Area:86.6
Heavy Atom Count:18
Complexity:314
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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