(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioic acid
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![(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a704d0a565eb48368961e179b48d4589.png "(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioic acid")
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioic acid
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CAS No:
956046-22-3
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Formula:
C21H25NO8
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Chemical Name:
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioic acid
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Synonyms:
ZINC2126011;EiM07-16978;STL460713;AKOS016390303;MCULE-8417579224;N-{[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-glutamic acid;(2S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)pentanedioic acid;956046-22-3
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CAS No:
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioic acid Basic Attributes
419.4 g/mol
419.15801676 g/mol
Computed Properties
Molecular Weight:419.4
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:419.15801676
Monoisotopic Mass:419.15801676
Topological Polar Surface Area:139
Heavy Atom Count:30
Complexity:689
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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