N-Acetyl-3-methyl-L-histidine
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N-Acetyl-3-methyl-L-histidine
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CAS No:
37841-04-6
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Formula:
C9H13N3O3
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Chemical Name:
N-Acetyl-3-methyl-L-histidine
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Synonyms:
L-Histidine,N-acetyl-3-methyl-;N-Acetyl-3-methyl-L-histidine;N-Acetyl-L-3-methylhistidine;N-Acetyl-3-methylhistidine;(2S)-2-Acetamido-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
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CAS No:
Description
N-acetyl-3-methyl-L-histidine is an N-acetyl-L-amino acid that is N-acetyl-L-histidine carrying a methyl substituent at position 3 on the imidazole ring. It has a role as a human blood serum metabolite. It is a N-acetyl-L-amino acid and a L-histidine derivative. It is a conjugate acid of a N-acetyl-3-methyl-L-histidinate.
Computed Properties
Molecular Weight:211.22
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:211.09569129
Monoisotopic Mass:211.09569129
Topological Polar Surface Area:84.2
Heavy Atom Count:15
Complexity:257
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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