(2S)-4-methylsulfanyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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![(2S)-4-methylsulfanyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c04141b51b0641fc94d443272d3f56e4.png "(2S)-4-methylsulfanyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid")
(2S)-4-methylsulfanyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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CAS No:
956041-81-9
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Formula:
C23H27NO6S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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Synonyms:
ZINC2156941;EiM07-29320;AKOS030499343;MCULE-3293946942;956041-81-9
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CAS No:
(2S)-4-methylsulfanyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Basic Attributes
445.5 g/mol
445.15590875 g/mol
Computed Properties
Molecular Weight:445.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:445.15590875
Monoisotopic Mass:445.15590875
Topological Polar Surface Area:131
Heavy Atom Count:31
Complexity:752
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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