β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(R*),2β,5α]]-
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![β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(R*),2β,5α]]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/027524b9306647b4a4fad886257dc81d.png "β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(R*),2β,5α]]-")
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(R*),2β,5α]]-
structure -
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CAS No:
85508-39-0
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Formula:
C19H35NO5
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Chemical Name:
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(R*),2β,5α]]-
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Synonyms:
β-Alanine,N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,5-methyl-2-(1-methylethyl)cyclohexyl ester,[1R-[1α(R*),2β,5α]]-
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CAS No:
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(R*),2β,5α]]- Basic Attributes
357.4849
357.48
287-463-4
DTXSID70234719
Computed Properties
Molecular Weight:357.5
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:357.25152322
Monoisotopic Mass:357.25152322
Topological Polar Surface Area:95.9
Heavy Atom Count:25
Complexity:449
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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