5-Mercapto-N,N,3-trimethyl-L-histidine
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5-Mercapto-N,N,3-trimethyl-L-histidine
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CAS No:
105496-34-2
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Formula:
C9H15N3O2S
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Chemical Name:
5-Mercapto-N,N,3-trimethyl-L-histidine
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Synonyms:
L-Histidine,5-mercapto-N,N,3-trimethyl-;5-Mercapto-N,N,3-trimethyl-L-histidine;Ovothiol C
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CAS No:
Description
Ovothiol C is a L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has a role as a marine metabolite, an antioxidant and a radical scavenger. It is an aryl thiol and a L-histidine derivative. It is a tautomer of an ovothiol C zwitterion.
Computed Properties
Molecular Weight:229.30
XLogP3:-1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:229.08849790
Monoisotopic Mass:229.08849790
Topological Polar Surface Area:59.4
Heavy Atom Count:15
Complexity:237
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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