(2S)-2-[[2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid
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![(2S)-2-[[2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7d69db36124840ffbe58dadb4f7c886c.png "(2S)-2-[[2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid")
(2S)-2-[[2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid
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CAS No:
956040-88-3
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Formula:
C27H30N2O7
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Chemical Name:
(2S)-2-[[2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid
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Synonyms:
ZINC2118181;AKOS030502682;MCULE-7912472732;(S)-2-(2-(2-((3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)acetamido)-3-methylbutanoic acid;956040-88-3
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CAS No:
(2S)-2-[[2-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid Basic Attributes
494.5 g/mol
494.20530130 g/mol
Computed Properties
Molecular Weight:494.5
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:494.20530130
Monoisotopic Mass:494.20530130
Topological Polar Surface Area:131
Heavy Atom Count:36
Complexity:862
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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