2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid
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![2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f0c237365a554c8ca94add65fcbff718.png "2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid")
2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid
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CAS No:
29779-60-0
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Formula:
C18H14I4N2O4
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Chemical Name:
2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid
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Synonyms:
29779-60-0;BRN 2955938;alpha-(((4-((Methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)benzeneacetic acid;Benzeneacetic acid, alpha-(((4-((methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)-;beta-((4-Methylcarbamoyl-2,3,5,6-tetrajod-benzoyl)-amino)-alpha-phenylpropionsaure [German];DTXSID60952213;beta-((4-Methylcarbamoyl-2,3,5,6-tetrajod-benzoyl)-amino)-alpha-phenylpropionsaure;3-[(Hydroxy{4-[hydroxy(methylimino)methyl]-2,3,5,6-tetraiodophenyl}methylidene)amino]-2-phenylpropanoic acid
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CAS No:
2-phenyl-3-[[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]propanoic acid Basic Attributes
829.9 g/mol
829.7132 g/mol
Computed Properties
Molecular Weight:829.9
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:829.7132
Monoisotopic Mass:829.7132
Topological Polar Surface Area:95.5
Heavy Atom Count:28
Complexity:572
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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