3-Methylhistidine D3
(2S)-2-amino-3-[3-(trideuteriomethyl)imidazol-4-yl]propanoic acid
Molecular Identity
3-Methylhistidine D3
(2S)-2-amino-3-[3-(trideuteriomethyl)imidazol-4-yl]propanoic acid
PubChem CID: 162623739
2D Structure
Properties
C7H11N3O2
Molecular Formula
172.20
Molecular Weight
g/mol
172.1040
Exact Mass
Da
-3.3
XLogP
Drug-like (Lipinski: < 5)
81.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
174
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=NC=C1CC(C(=O)O)NIsomeric SMILES
SMILES: [2H]C([2H])([2H])N1C=NC=C1C[C@@H](C(=O)O)NSynonyms(15)
3-Methylhistidine D33-Methyl-L-histidine-d3144868-18-8D3-3-methylhistidine7KZ5SY6ADEL-Histidine, 3-(methyl-d3)-UNII-7KZ5SY6ADE(2S)-2-amino-3-[3-(trideuteriomethyl)imidazol-4-yl]propanoic acid3-Methyl-d3-L-histidineorb3138369TMID-0580HY-W017007SMSK001361D3CS-0376557PI-METHYL-L-HISTIDINE (METHYL-D3, 98%)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-Methylhistidine D3
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