(2S,3R)-3-methyl-2-[[2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]pentanoic acid
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![(2S,3R)-3-methyl-2-[[2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5c48956aade64a6992f7c07d628d7814.png "(2S,3R)-3-methyl-2-[[2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]pentanoic acid")
(2S,3R)-3-methyl-2-[[2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]pentanoic acid
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CAS No:
956049-97-1
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Formula:
C26H32N2O7
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Chemical Name:
(2S,3R)-3-methyl-2-[[2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]pentanoic acid
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Synonyms:
ZINC2116700;STL528649;AKOS030502342;MCULE-9118028184;N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-L-isoleucine;(2S,3R)-3-methyl-2-(2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)acetamido)pentanoic acid;956049-97-1
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CAS No:
(2S,3R)-3-methyl-2-[[2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]pentanoic acid Basic Attributes
484.5 g/mol
484.22095136 g/mol
Computed Properties
Molecular Weight:484.5
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:484.22095136
Monoisotopic Mass:484.22095136
Topological Polar Surface Area:135
Heavy Atom Count:35
Complexity:885
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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