Bufa-20,22-dienolide, 3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-5,14-dihydroxy-, (3β,5β)-
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![Bufa-20,22-dienolide, 3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-5,14-dihydroxy-, (3β,5β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9603d7c09874415dbccf5d2dc0f24708.png "Bufa-20,22-dienolide, 3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-5,14-dihydroxy-, (3β,5β)-")
Bufa-20,22-dienolide, 3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-5,14-dihydroxy-, (3β,5β)-
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CAS No:
72093-20-0
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Formula:
C38H58N4O9
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Chemical Name:
Bufa-20,22-dienolide, 3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-5,14-dihydroxy-, (3β,5β)-
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Synonyms:
Telocinobufatoxin;72093-20-0;DTXSID60992816;(2S)-5-(diaminomethylideneamino)-2-[[8-[[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid;Bufa-20,22-dienolide, 3-((8-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1,8-dioxooctyl)oxy)-5,14-dihydroxy-, (3beta(S),5beta)-;3-({8-[(4-Carbamimidamido-1-carboxybutyl)imino]-8-hydroxyoctanoyl}oxy)-5,14-dihydroxybufa-20,22-dienolide
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CAS No:
Bufa-20,22-dienolide, 3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-5,14-dihydroxy-, (3β,5β)- Basic Attributes
714.9 g/mol
714.42037944 g/mol
Computed Properties
Molecular Weight:714.9
XLogP3:2.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:16
Exact Mass:714.42037944
Monoisotopic Mass:714.42037944
Topological Polar Surface Area:224
Heavy Atom Count:51
Complexity:1430
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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