3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid
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![3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3c9f0f34ff754e369db7ed4e9c496e4a.png "3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid")
3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid
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CAS No:
25903-29-1
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Formula:
C31H34I6N4O8
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Chemical Name:
3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid
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Synonyms:
BENZOIC ACID, 3,3'-(PIMELOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-;25903-29-1;3,3'-Pimeloyldiiminobis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid);DTXSID10180569;3,3'-(Pimeloyldiimino)bis[5-(butyrylaminomethyl)-2,4,6-triiodobenzoic acid]
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CAS No:
3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid Basic Attributes
1352.0 g/mol
1351.6645 g/mol
DTXSID10180569
Computed Properties
Molecular Weight:1352.0
XLogP3:5.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:18
Exact Mass:1351.6645
Monoisotopic Mass:1351.6645
Topological Polar Surface Area:191
Heavy Atom Count:49
Complexity:1090
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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