(2R)-2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid
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![(2R)-2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/724278485dcc4000b5b2795f947b502d.png "(2R)-2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid")
(2R)-2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid
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CAS No:
956045-61-7
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Formula:
C20H25NO6S
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Chemical Name:
(2R)-2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid
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Synonyms:
ZINC2120234;STL534720;AKOS030503079;MCULE-9942621584;N-{[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}-S-methyl-L-cysteine;(R)-2-(2-((4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)-3-(methylthio)propanoic acid;956045-61-7
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CAS No:
(2R)-2-[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-methylsulfanylpropanoic acid Basic Attributes
407.5 g/mol
407.14025869 g/mol
Computed Properties
Molecular Weight:407.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:407.14025869
Monoisotopic Mass:407.14025869
Topological Polar Surface Area:127
Heavy Atom Count:28
Complexity:608
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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