(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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![(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9134cf95e5424491be88d2c18252e574.png "(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid")
(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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CAS No:
956705-22-9
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Formula:
C22H25NO7S
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Chemical Name:
(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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Synonyms:
STL537499;AKOS030500731;MCULE-6160071880;(2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid;(2S)-4-(methylsulfinyl)-2-{[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoic acid;956705-22-9
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CAS No:
(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Basic Attributes
447.5 g/mol
447.13517331 g/mol
Computed Properties
Molecular Weight:447.5
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:447.13517331
Monoisotopic Mass:447.13517331
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:795
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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