3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
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![3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d340d58e695d4d329717fdc5b25f1382.png "3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid")
3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
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CAS No:
25903-33-7
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Formula:
C30H32I6N4O8
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Chemical Name:
3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
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Synonyms:
BENZOIC ACID, 3,3'-(ADIPOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-;25903-33-7;BRN 2800748;3,3'-(Adipoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid);DTXSID00180573;3,3'-(Adipoyldiimino)bis[5-(butyrylaminomethyl)-2,4,6-triiodobenzoic acid]
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CAS No:
3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid Basic Attributes
1338.0 g/mol
1337.6488 g/mol
DTXSID00180573
Computed Properties
Molecular Weight:1338.0
XLogP3:5.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:1337.6488
Monoisotopic Mass:1337.6488
Topological Polar Surface Area:191
Heavy Atom Count:48
Complexity:1070
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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