(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
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![(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/50faee426a1542d68ac77b076cea74b0.png "(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid")
(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
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CAS No:
64379-24-4
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Formula:
C17H12BrI4NO5
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Chemical Name:
(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
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Synonyms:
N-bromoacetyl-L-thyroxine;N-bromoacetylthyroxine;N-Bromoacetyl-L-thyroxine;64379-24-4;N-Bromoacetylthyroxine;L-Tyrosine, N-(bromoacetyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-;SCHEMBL5152656;DTXSID80982931;(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid;N-(2-Bromo-1-hydroxyethylidene)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine
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CAS No:
(2S)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid Basic Attributes
897.8 g/mol
896.6078 g/mol
Computed Properties
Molecular Weight:897.8
XLogP3:5.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:896.6078
Monoisotopic Mass:896.6078
Topological Polar Surface Area:95.9
Heavy Atom Count:28
Complexity:536
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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