3,6-Dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
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3,6-Dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
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CAS No:
83711-67-5
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Formula:
C6H7NO4S
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Chemical Name:
3,6-Dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
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Synonyms:
2H-1,4-Thiazine-3,5-dicarboxylic acid,3,6-dihydro-;3,6-Dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
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CAS No:
Description
Solid
Lanthionine ketimine is a member of the class of 1,4-thiazines that is 3,6-dihydro-2H-1,4-thiazine substituted by carboxy groups at positions 3 and 5. It is a natural but non-proteogenic amino acid found in human urine and brain. It has a role as a human urinary metabolite, an anti-inflammatory agent and a neuroprotective agent. It is a 1,4-thiazine, a dicarboxylic acid and a sulfur-containing amino acid.
Computed Properties
Molecular Weight:189.19
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:189.00957888
Monoisotopic Mass:189.00957888
Topological Polar Surface Area:112
Heavy Atom Count:12
Complexity:250
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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