(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
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![(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a324c05c80744cce9d0217b702c252dc.png "(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid")
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
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CAS No:
956050-38-7
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Formula:
C21H27NO6S
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Chemical Name:
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
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Synonyms:
ZINC2107971;EiM07-16973;STL460708;AKOS016390305;MCULE-7676107107;N-{[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-methionine;(2S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-4-(methylsulfanyl)butanoic acid;956050-38-7
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CAS No:
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid Basic Attributes
421.5 g/mol
421.15590875 g/mol
Computed Properties
Molecular Weight:421.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:421.15590875
Monoisotopic Mass:421.15590875
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:622
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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