(2S)-2-[[2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid
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![(2S)-2-[[2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/db913e5888bc40a9bd302d422bac4654.png "(2S)-2-[[2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid")
(2S)-2-[[2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid
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CAS No:
956691-31-9
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Formula:
C21H26N2O7
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Chemical Name:
(2S)-2-[[2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic acid
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Synonyms:
ZINC2123151;AKOS030504050;MCULE-8049277270;(S)-2-(2-(2-((4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)acetamido)-3-methylbutanoic acid;956691-31-9
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CAS No:
(2S)-2-[[2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methylbutanoic 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:704
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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