(2S)-2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
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![(2S)-2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cec42bf8ba4e42f59270867557a94e73.png "(2S)-2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid")
(2S)-2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
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CAS No:
956050-01-4
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Formula:
C23H27NO6S
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Chemical Name:
(2S)-2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
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Synonyms:
ZINC2118541;EiM07-20349;AKOS030502741;MCULE-8742096214;956050-01-4
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CAS No:
(2S)-2-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Basic Attributes
445.5 g/mol
445.15590875 g/mol
Computed Properties
Molecular Weight:445.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:445.15590875
Monoisotopic Mass:445.15590875
Topological Polar Surface Area:131
Heavy Atom Count:31
Complexity:758
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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