2-[[[3-(ethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid
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![2-[[[3-(ethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/affa0205adcc4971ad4f0a8543741439.png "2-[[[3-(ethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid")
2-[[[3-(ethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid
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CAS No:
35245-19-3
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Formula:
C20H26I3N3O5
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Chemical Name:
2-[[[3-(ethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid
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Synonyms:
35245-19-3;BRN 2926742;Butanoic acid, 2-(((3-((ethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-;DTXSID10956685;2-({[{3-[(Ethylimino)(hydroxy)methyl]-5-[ethyl(propanoyl)amino]-2,4,6-triiodophenyl}(hydroxy)methylidene]amino}methyl)butanoic acid
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CAS No:
2-[[[3-(ethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid Basic Attributes
769.2 g/mol
768.9007 g/mol
Computed Properties
Molecular Weight:769.2
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:768.9007
Monoisotopic Mass:768.9007
Topological Polar Surface Area:116
Heavy Atom Count:31
Complexity:666
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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