(2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8c5e2edd34e24a00896fef23def0e424.png "(2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoic acid
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CAS No:
956382-82-4
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Formula:
C25H27NO7
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Chemical Name:
(2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2125851;STL532710;AKOS032428305;MCULE-3153126506;N-({[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetyl)-L-isoleucine;(2S,3R)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid;956382-82-4
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CAS No:
(2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoic acid Basic Attributes
453.5 g/mol
453.17875220 g/mol
Computed Properties
Molecular Weight:453.5
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:453.17875220
Monoisotopic Mass:453.17875220
Topological Polar Surface Area:111
Heavy Atom Count:33
Complexity:743
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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