(2S,3R)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8240e5284f6b46abab0624ded106b094.png "(2S,3R)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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CAS No:
956048-86-5
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Formula:
C25H29NO6
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Chemical Name:
(2S,3R)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2154431;STL529416;AKOS030498680;MCULE-9859503937;(2S,3R)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-methylpentanoic acid;956048-86-5;N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-isoleucine
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CAS No:
(2S,3R)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-methylpentanoic acid Basic Attributes
439.5 g/mol
439.19948764 g/mol
Computed Properties
Molecular Weight:439.5
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:439.19948764
Monoisotopic Mass:439.19948764
Topological Polar Surface Area:106
Heavy Atom Count:32
Complexity:806
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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