(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
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![(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b8c6cdc994464cfa977dc4a50c24b059.png "(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid")
(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
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CAS No:
1212216-47-1
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Formula:
C26H27NO8S
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Chemical Name:
(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
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Synonyms:
N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)-D-methionine;C26H27NO8S;ZINC1749971;STK091117;AKOS005394173;MCULE-5182865910;1212216-47-1
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CAS No:
(2R)-2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid Basic Attributes
513.6 g/mol
513.14573799 g/mol
Computed Properties
Molecular Weight:513.6
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:513.14573799
Monoisotopic Mass:513.14573799
Topological Polar Surface Area:146
Heavy Atom Count:36
Complexity:848
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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