3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid
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![3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8877bd2bc73d4ed68ccb29f01f7a3cda.png "3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid")
3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid
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CAS No:
25903-32-6
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Formula:
C34H40I6N4O8
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Chemical Name:
3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid
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Synonyms:
3,3'-(Sebacoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid); BENZOIC ACID,3,3'-(SEBACOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO;
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CAS No:
3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid Basic Attributes
1394.13000
1393.7114 g/mol
DTXSID40180572
Computed Properties
Molecular Weight:1394.1
XLogP3:7.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:21
Exact Mass:1393.7114
Monoisotopic Mass:1393.7114
Topological Polar Surface Area:191
Heavy Atom Count:52
Complexity:1130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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