(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
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![(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0279d92fe38c41edb536aba3970a7320.png "(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid")
(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
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CAS No:
13724-85-1
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Formula:
C18H19Br2NO4
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Chemical Name:
(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid
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Synonyms:
3,5-dibromo-3'-isopropyl-L-thyronine;3,5-dibromo-3'-isopropylthyronine;3,5-dibromo-3'-isopropylthyronine, (DL)-isomer;DIBIT compound;3,5-Dibromo-3'-isopropylthyronine;3,5-Dibromo-3'-isopropyl-L-thyronine;CHEMBL163067;13724-85-1;Dibit compound;SCHEMBL5549351;DTXSID30160121;3,5-Dibromo-O-(4-hydroxy-3-(1-methylethyl)phenyl)-L-tyrosine;BDBM50036409;(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid;L-Tyrosine, 3,5-dibromo-O-(4-hydroxy-3-(1-methylethyl)phenyl)-;(S)-2-Amino-3-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)-phenyl]-propionic acid
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CAS No:
(2S)-2-amino-3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanoic acid Basic Attributes
473.2 g/mol
472.96603 g/mol
DTXSID30160121
Computed Properties
Molecular Weight:473.2
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:472.96603
Monoisotopic Mass:470.96808
Topological Polar Surface Area:92.8
Heavy Atom Count:25
Complexity:439
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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