(2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/acdbc3b9fe0e4087a16a4bc899ce7a34.png "(2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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CAS No:
956047-97-5
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Formula:
C19H22ClNO6
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Chemical Name:
(2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2122871;STL530030;AKOS030503977;MCULE-2863972387;N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-isoleucine;956047-97-5
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CAS No:
(2S,3R)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid Basic Attributes
395.8 g/mol
395.1135651 g/mol
Computed Properties
Molecular Weight:395.8
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:395.1135651
Monoisotopic Mass:395.1135651
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:634
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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