(2S,3R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ca245bd46a9a454f9d017bc4474ba1da.png "(2S,3R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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CAS No:
957047-98-2
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Formula:
C20H25NO7
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Chemical Name:
(2S,3R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2114015;STL531151;AKOS030501961;MCULE-7696763930;N-[(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-isoleucine;957047-98-2
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CAS No:
(2S,3R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid Basic Attributes
391.4 g/mol
391.16310214 g/mol
Computed Properties
Molecular Weight:391.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:391.16310214
Monoisotopic Mass:391.16310214
Topological Polar Surface Area:111
Heavy Atom Count:28
Complexity:645
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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