(2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid
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![(2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1274dd2019b649a2b4ded1ccbbec60a0.png "(2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid")
(2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid
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CAS No:
1173682-56-8
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Formula:
C14H16N4O4S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid
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Synonyms:
ZINC2364567;STK716947;AKOS005533804;MCULE-5218447353;N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-L-methionine;(S)-4-(methylthio)-2-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamido)butanoic acid;(2S)-4-(methylsulfanyl)-2-({2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetyl}amino)butanoic acid;1173682-56-8
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CAS No:
(2S)-4-methylsulfanyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoic acid Basic Attributes
336.37 g/mol
336.08922618 g/mol
Computed Properties
Molecular Weight:336.37
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:336.08922618
Monoisotopic Mass:336.08922618
Topological Polar Surface Area:137
Heavy Atom Count:23
Complexity:499
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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