3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid
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![3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6df2296818614fe59306e72c9043b1ee.png "3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid")
3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid
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CAS No:
25903-31-5
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Formula:
C33H38I6N4O8
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Chemical Name:
3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid
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Synonyms:
BENZOIC ACID, 3,3'-(AZELAOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-;25903-31-5;3,3'-(Azelaoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid);DTXSID80180571;3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid;3,3'-(Azelaoyldiimino)bis[5-(butyrylaminomethyl)-2,4,6-triiodobenzoic acid]
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CAS No:
3-[(butanoylamino)methyl]-5-[[9-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid Basic Attributes
1380.1 g/mol
1379.6958 g/mol
DTXSID80180571
Computed Properties
Molecular Weight:1380.1
XLogP3:7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:20
Exact Mass:1379.6958
Monoisotopic Mass:1379.6958
Topological Polar Surface Area:191
Heavy Atom Count:51
Complexity:1120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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