(2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
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![(2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f2dc0f4040464af6bef2f024d2e9b765.png "(2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid")
(2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
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CAS No:
956048-81-0
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Formula:
C21H21NO6
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Chemical Name:
(2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
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Synonyms:
ZINC2115481;STL533434;AKOS030502202;MCULE-1872953056;N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine;(2S,3R)-3-methyl-2-(2-((6-oxo-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid;956048-81-0
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CAS No:
(2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid Basic Attributes
383.4 g/mol
383.13688739 g/mol
Computed Properties
Molecular Weight:383.4
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:383.13688739
Monoisotopic Mass:383.13688739
Topological Polar Surface Area:102
Heavy Atom Count:28
Complexity:593
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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