(2S,3S)-2-[[2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid
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![(2S,3S)-2-[[2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/617bbfd8b5c84d3d9ef13edb4536eec0.png "(2S,3S)-2-[[2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid")
(2S,3S)-2-[[2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid
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CAS No:
956040-91-8
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Formula:
C21H26N2O7
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Chemical Name:
(2S,3S)-2-[[2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2118003;AKOS030502632;MCULE-4958008757;(2S,3S)-2-(2-(2-((4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)acetamido)-3-methylpentanoic acid;956040-91-8
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CAS No:
(2S,3S)-2-[[2-[[2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid Basic Attributes
418.4 g/mol
418.17400117 g/mol
Computed Properties
Molecular Weight:418.4
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:418.17400117
Monoisotopic Mass:418.17400117
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:706
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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