3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid
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![3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/abbf5078c3d346df9c65a152ad593005.png "3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid")
3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid
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CAS No:
879577-65-8
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Formula:
C18H22N4O4
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Chemical Name:
3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid
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Synonyms:
ZINC2235626;STK577604;AKOS005502009;AKOS030211929;ZINC584906349;MCULE-3315822425;N-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-beta-alanine;879577-65-8
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CAS No:
3-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid Basic Attributes
358.4 g/mol
358.16410520 g/mol
Computed Properties
Molecular Weight:358.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:358.16410520
Monoisotopic Mass:358.16410520
Topological Polar Surface Area:111
Heavy Atom Count:26
Complexity:572
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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