(2R)-3-methylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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![(2R)-3-methylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/59c9cb9aeb394acdb4d4a720ac68e104.png "(2R)-3-methylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid")
(2R)-3-methylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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CAS No:
956048-43-4
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Formula:
C21H23NO6S
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Chemical Name:
(2R)-3-methylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
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Synonyms:
ZINC2110728;STL536848;AKOS030500790;MCULE-9671739426;S-methyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-cysteine;(R)-3-(methylthio)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid;956048-43-4
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CAS No:
(2R)-3-methylsulfanyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid Basic Attributes
417.5 g/mol
417.12460863 g/mol
Computed Properties
Molecular Weight:417.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:417.12460863
Monoisotopic Mass:417.12460863
Topological Polar Surface Area:131
Heavy Atom Count:29
Complexity:707
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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