(2R)-3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid
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![(2R)-3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/00b057fd22d54ea58ff10d83c2bc998b.png "(2R)-3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid")
(2R)-3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid
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CAS No:
956050-42-3
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Formula:
C18H21NO6S
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Chemical Name:
(2R)-3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid
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Synonyms:
ZINC2121095;STL534332;AKOS030503680;MCULE-9400369800;S-methyl-N-{[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}-L-cysteine;(R)-3-(methylthio)-2-(2-((3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid;956050-42-3
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CAS No:
(2R)-3-methylsulfanyl-2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid Basic Attributes
379.4 g/mol
379.10895856 g/mol
Computed Properties
Molecular Weight:379.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:379.10895856
Monoisotopic Mass:379.10895856
Topological Polar Surface Area:127
Heavy Atom Count:26
Complexity:605
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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