(2S)-4-methylsulfanyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid
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![(2S)-4-methylsulfanyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/891ddabeebf84a579beb24804c66d0fa.png "(2S)-4-methylsulfanyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid")
(2S)-4-methylsulfanyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid
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CAS No:
956683-72-0
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Formula:
C27H27NO6S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid
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Synonyms:
ZINC2119708;STL529868;AKOS030502954;MCULE-6064763614;N-[(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-methionine;(S)-4-(methylthio)-2-(2-(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetamido)butanoic acid;956683-72-0
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CAS No:
(2S)-4-methylsulfanyl-2-[[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid Basic Attributes
493.6 g/mol
493.15590875 g/mol
Computed Properties
Molecular Weight:493.6
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:493.15590875
Monoisotopic Mass:493.15590875
Topological Polar Surface Area:131
Heavy Atom Count:35
Complexity:853
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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