(2S)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanylbutanoic acid
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![(2S)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8558f9b542c44aaa88fba9149de5f511.png "(2S)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanylbutanoic acid")
(2S)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanylbutanoic acid
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CAS No:
957046-58-1
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Formula:
C21H23NO6S
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Chemical Name:
(2S)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanylbutanoic acid
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Synonyms:
ZINC2153722;EiM07-29333;AKOS030498385;MCULE-1886360187;957046-58-1
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CAS No:
(2S)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-4-methylsulfanylbutanoic acid Basic Attributes
417.5 g/mol
417.12460863 g/mol
Computed Properties
Molecular Weight:417.5
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:417.12460863
Monoisotopic Mass:417.12460863
Topological Polar Surface Area:131
Heavy Atom Count:29
Complexity:693
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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