3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid
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![3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f00926087d354340ae43a210cd644df6.png "3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid")
3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid
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CAS No:
1173680-23-3
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Formula:
C15H18N4O4
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Chemical Name:
3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid
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Synonyms:
ZINC2208104;EiM07-17615;STK716991;AKOS005533911;MCULE-5659218089;3-({(2S)-3-methyl-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanoyl}amino)propanoic acid;N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-beta-alanine;1173680-23-3
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CAS No:
3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]propanoic acid Basic Attributes
318.33 g/mol
318.13280507 g/mol
Computed Properties
Molecular Weight:318.33
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:318.13280507
Monoisotopic Mass:318.13280507
Topological Polar Surface Area:111
Heavy Atom Count:23
Complexity:506
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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