(2S,3S)-3-methyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid
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![(2S,3S)-3-methyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cd92043c324f4f6b8715d9600be7c395.png "(2S,3S)-3-methyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid")
(2S,3S)-3-methyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid
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CAS No:
956041-46-6
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Formula:
C20H25NO6
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Chemical Name:
(2S,3S)-3-methyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid
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Synonyms:
ZINC2151842;STL536383;AKOS030497832;MCULE-1968368844;N-{[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetyl}-L-isoleucine;(2S,3S)-3-methyl-2-(2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)acetamido)pentanoic acid;956041-46-6
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CAS No:
(2S,3S)-3-methyl-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]pentanoic acid Basic Attributes
375.4 g/mol
375.16818752 g/mol
Computed Properties
Molecular Weight:375.4
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:375.16818752
Monoisotopic Mass:375.16818752
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:587
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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