(2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid
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![(2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3d66590c4f194dfe8d230c3ddefdba2f.png "(2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid")
(2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid
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CAS No:
956048-24-1
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Formula:
C24H27NO6S
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Chemical Name:
(2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid
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Synonyms:
ZINC2107671;STL529723;AKOS030500011;MCULE-1322607923;(S)-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-(methylthio)butanoic acid;956048-24-1;N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-L-methionine
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CAS No:
(2S)-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid Basic Attributes
457.5 g/mol
457.15590875 g/mol
Computed Properties
Molecular Weight:457.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:457.15590875
Monoisotopic Mass:457.15590875
Topological Polar Surface Area:131
Heavy Atom Count:32
Complexity:783
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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