(2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoic acid
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(2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoic acid
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CAS No:
1173680-26-6
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Formula:
C15H18N4O4S
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Chemical Name:
(2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoic acid
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Synonyms:
ZINC2340396;EiM07-17606;STK716983;AKOS005533806;MCULE-2474130353;NCGC00305380-01;AB01301783-01;N-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-methionine;1173680-26-6
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CAS No:
(2S)-4-methylsulfanyl-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]butanoic acid Basic Attributes
350.4 g/mol
350.10487624 g/mol
Computed Properties
Molecular Weight:350.4
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:350.10487624
Monoisotopic Mass:350.10487624
Topological Polar Surface Area:137
Heavy Atom Count:24
Complexity:528
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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