(2S,3S)-2-[[2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid
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![(2S,3S)-2-[[2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e646c144f33e4433b73b4d6054735939.png "(2S,3S)-2-[[2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid")
(2S,3S)-2-[[2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid
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CAS No:
956045-78-6
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Formula:
C22H28N2O7
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Chemical Name:
(2S,3S)-2-[[2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2121248;AKOS030503728;MCULE-9136732638;(2S,3S)-2-(2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)acetamido)-3-methylpentanoic acid;956045-78-6
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CAS No:
(2S,3S)-2-[[2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid Basic Attributes
432.5 g/mol
432.18965124 g/mol
Computed Properties
Molecular Weight:432.5
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:432.18965124
Monoisotopic Mass:432.18965124
Topological Polar Surface Area:131
Heavy Atom Count:31
Complexity:721
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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