(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]-4-methylsulfanylbutanoic acid
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![(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]-4-methylsulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/85cc202ce0bf49f1942ced882a7b06fa.png "(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]-4-methylsulfanylbutanoic acid")
(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]-4-methylsulfanylbutanoic acid
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CAS No:
1173671-48-1
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Formula:
C17H22N4O4S
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Chemical Name:
(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]-4-methylsulfanylbutanoic acid
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Synonyms:
ZINC2215586;STK593735;AKOS005515558;MCULE-5784640228;N-[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-methionine;1173671-48-1
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CAS No:
(2S)-2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]-4-methylsulfanylbutanoic acid Basic Attributes
378.4 g/mol
378.13617637 g/mol
Computed Properties
Molecular Weight:378.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:378.13617637
Monoisotopic Mass:378.13617637
Topological Polar Surface Area:137
Heavy Atom Count:26
Complexity:569
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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