(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
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![(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/56f1ebacf9664dbcaa621beeb00597d6.png "(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid")
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
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CAS No:
956048-02-5
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Formula:
C25H27NO6
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Chemical Name:
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
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Synonyms:
ZINC2106217;EiM07-16975;STL460710;AKOS016390306;MCULE-1176978453;N-{[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-phenylalanine;(2S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-3-phenylpropanoic acid;956048-02-5
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CAS No:
(2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid Basic Attributes
437.5 g/mol
437.18383758 g/mol
Computed Properties
Molecular Weight:437.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:437.18383758
Monoisotopic Mass:437.18383758
Topological Polar Surface Area:102
Heavy Atom Count:32
Complexity:699
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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