(2S,3S)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid
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![(2S,3S)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cb9d2a7ed1524c5ba957668d43ee2030.png "(2S,3S)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid")
(2S,3S)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid
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CAS No:
956041-12-6
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Formula:
C24H26N2O7
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Chemical Name:
(2S,3S)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid
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Synonyms:
ZINC2125411;STL534046;AKOS032428223;MCULE-1299259316;N-{[(4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}glycyl-L-isoleucine;(2S,3S)-3-methyl-2-(2-(2-((4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy)acetamido)acetamido)pentanoic acid;956041-12-6
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CAS No:
(2S,3S)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid Basic Attributes
454.5 g/mol
454.17400117 g/mol
Computed Properties
Molecular Weight:454.5
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:454.17400117
Monoisotopic Mass:454.17400117
Topological Polar Surface Area:131
Heavy Atom Count:33
Complexity:742
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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