(2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
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![(2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/aa1ef51a47334aba8ab9e6e3cc7bfb2a.png "(2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid")
(2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
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CAS No:
956044-04-5
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Formula:
C22H23NO6
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Chemical Name:
(2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
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Synonyms:
ZINC2118597;STL534126;AKOS030502761;MCULE-1122878121;N-{[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine;(2S,3R)-3-methyl-2-(2-((4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid;956044-04-5
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CAS No:
(2S,3R)-3-methyl-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid Basic Attributes
397.4 g/mol
397.15253745 g/mol
Computed Properties
Molecular Weight:397.4
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:397.15253745
Monoisotopic Mass:397.15253745
Topological Polar Surface Area:102
Heavy Atom Count:29
Complexity:622
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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