(2S)-4-methylsulfanyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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![(2S)-4-methylsulfanyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/14b24e83dbbe41818ec0960f5ce7db4e.png "(2S)-4-methylsulfanyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid")
(2S)-4-methylsulfanyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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CAS No:
956041-02-4
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Formula:
C28H29NO6S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
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Synonyms:
ZINC2120636;STL530764;AKOS030503554;MCULE-8474683760;N-[3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-methionine;(S)-4-(methylthio)-2-(3-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid;956041-02-4
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CAS No:
(2S)-4-methylsulfanyl-2-[3-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid Basic Attributes
507.6 g/mol
507.17155882 g/mol
Computed Properties
Molecular Weight:507.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:507.17155882
Monoisotopic Mass:507.17155882
Topological Polar Surface Area:131
Heavy Atom Count:36
Complexity:868
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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