2-((5-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL)AMINO)-3-METHYLBUTANOIC ACID
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![2-((5-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL)AMINO)-3-METHYLBUTANOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eb4c47173cee46b481fdf97b2ede95a5.png "2-((5-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL)AMINO)-3-METHYLBUTANOIC ACID")
2-((5-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL)AMINO)-3-METHYLBUTANOIC ACID
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CAS No:
1030620-44-0
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Formula:
C16H16N2O5S
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Chemical Name:
2-((5-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL)AMINO)-3-METHYLBUTANOIC ACID
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Synonyms:
2-{[(5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}-3-methylbutanoic acid;2-({5-[(E)-1,3-benzodioxol-5-ylmethylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-3-methylbutanoic acid;AKOS005093279;4W-0295;SR-01000309199;SR-01000309199-1
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CAS No:
2-((5-[(E)-1,3-BENZODIOXOL-5-YLMETHYLIDENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL)AMINO)-3-METHYLBUTANOIC ACID Basic Attributes
348.37
348.078
Computed Properties
Molecular Weight:348.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:348.07799279
Monoisotopic Mass:348.07799279
Topological Polar Surface Area:123
Heavy Atom Count:24
Complexity:589
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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