(2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/665f78fb078b4dedb212ace641bee9dc.png "(2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoic acid")
(2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoic acid
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CAS No:
956194-64-2
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Formula:
C24H28N2O7
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Chemical Name:
(2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoic acid
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Synonyms:
ZINC2159183;STL529041;AKOS030503289;MCULE-2803035971;AO-022/43453825;N-({[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}acetyl)valine;N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-L-valine;(S)-3-methyl-2-(2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)acetamido)butanoic acid;956194-64-2
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CAS No:
(2S)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoic acid Basic Attributes
456.5 g/mol
456.18965124 g/mol
Computed Properties
Molecular Weight:456.5
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:456.18965124
Monoisotopic Mass:456.18965124
Topological Polar Surface Area:135
Heavy Atom Count:33
Complexity:837
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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