(2S)-4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoic acid
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![(2S)-4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1f85fae899c94d978f3fa68e60d23cb4.png "(2S)-4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoic acid")
(2S)-4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoic acid
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CAS No:
1173685-01-2
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Formula:
C15H18N4O4
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Chemical Name:
(2S)-4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoic acid
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Synonyms:
ZINC2346378;STK716945;AKOS005533774;MCULE-5498923232;N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-L-leucine;(2S)-4-methyl-2-({2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetyl}amino)pentanoic acid;(S)-4-methyl-2-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamido)pentanoic acid;1173685-01-2
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CAS No:
(2S)-4-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoic acid Basic Attributes
318.33 g/mol
318.13280507 g/mol
Computed Properties
Molecular Weight:318.33
XLogP3:2.2
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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