.beta.-Alanine, N-[7-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxoheptyl]-
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![.beta.-Alanine, N-[7-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxoheptyl]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d85d86b1c57348b4bc9ab6ba9f441422.png ".beta.-Alanine, N-[7-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxoheptyl]-")
.beta.-Alanine, N-[7-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxoheptyl]-
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CAS No:
150840-71-4
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Formula:
C40H66N2O5
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Chemical Name:
.beta.-Alanine, N-[7-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxoheptyl]-
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Synonyms:
150840-71-4;Betulinic acid NH-HexCONHEtCOOH deriv.;DTXSID40934097;beta-Alanine, N-(7-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxoheptyl)-;N'-(N-(3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptanoyl)-3-aminopropionic acid;N'-[N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]-7-aminoheptanoyl]-3-aminopropionic acid;N-(7-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyheptylidene)-beta-alanine;.beta.-Alanine, N-[7-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxoheptyl]-;3-[7-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]heptanoylamino]propanoic acid
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CAS No:
.beta.-Alanine, N-[7-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxoheptyl]- Basic Attributes
655.0 g/mol
654.49717321 g/mol
Computed Properties
Molecular Weight:655.0
XLogP3:8.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:654.49717321
Monoisotopic Mass:654.49717321
Topological Polar Surface Area:116
Heavy Atom Count:47
Complexity:1210
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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