(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid
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![(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/41f96a218b0148acac9ed3bbf5da6d51.png "(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid")
(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid
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CAS No:
78044-52-7
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Formula:
C20H18IN3O6
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Chemical Name:
(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid
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Synonyms:
5-HIAA iodoglycyltyrosine;HIAA-IGT;iodo-Gly-Tyr-5-hydroxyindole acetic acid;iodoglycyltyrosine 5-hydroxyindole acetic acid;78044-52-7;Hiaa-igt;5-Hiaa iodoglycyltyrosine;Iodoglycyltyrosine 5-hydroxyindole acetic acid;DTXSID50999293;Iodo-gly-tyr-5-hydroxyindole acetic acid;L-Tyrosine, N-(N-((5-hydroxy-1H-indol-3-yl)carbonyl)glycyl)-3-(iodo-125I)-;N-(1-Hydroxy-2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}ethylidene)-3-iodotyrosine
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CAS No:
(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid Basic Attributes
523.3 g/mol
523.02403 g/mol
Computed Properties
Molecular Weight:523.3
XLogP3:2.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:523.02403
Monoisotopic Mass:523.02403
Topological Polar Surface Area:152
Heavy Atom Count:30
Complexity:650
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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