(2S)-3-methyl-2-[[2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cc8d0e6afd8241c8b8277aca3b2db96b.png "(2S)-3-methyl-2-[[2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]butanoic acid")
(2S)-3-methyl-2-[[2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
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CAS No:
957042-99-8
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Formula:
C21H26N2O7
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Chemical Name:
(2S)-3-methyl-2-[[2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
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Synonyms:
ZINC2115540;AKOS030502213;MCULE-9916174142;(S)-3-methyl-2-(2-(2-((3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)acetamido)butanoic acid;957042-99-8
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CAS No:
(2S)-3-methyl-2-[[2-[[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetyl]amino]acetyl]amino]butanoic 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:8
Exact Mass:418.17400117
Monoisotopic Mass:418.17400117
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:731
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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