2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid
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![2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d4eae3149dbf4a788c6742199406441d.png "2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid")
2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid
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CAS No:
57469-51-9
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Formula:
C14H14I3N3O5
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Chemical Name:
2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid
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Synonyms:
57469-51-9;BRN 2913622;DL-N-(3-Acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)alanine;ALANINE, N-(3-ACETAMIDO-5-METHYLCARBAMOYL-2,4,6-TRIIODOBENZOYL)-, DL-;SCHEMBL11695253;DTXSID20972997;2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid;N-(Hydroxy{3-[(1-hydroxyethylidene)amino]-5-[hydroxy(methylimino)methyl]-2,4,6-triiodophenyl}methylidene)alanine
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CAS No:
2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid Basic Attributes
684.99 g/mol
684.8068 g/mol
Computed Properties
Molecular Weight:684.99
XLogP3:1.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:684.8068
Monoisotopic Mass:684.8068
Topological Polar Surface Area:125
Heavy Atom Count:25
Complexity:562
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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