Basic information
- CAS
587-20-2- Standard SMILES
C[C@](N)(Cc1cnc[nH]1)C(=O)O- InChIKey
HRRYYCWYCMJNGA-ZETCQYMHSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Overview
Alpha-methyl-L-histidine is an alpha-methylhistidine that has L-configuration. It is functionally related to a L-histidine.
Names & identifiers
- Preferred name
- alpha-Methylhistidine
- IUPAC
- (2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
- English name
- alpha-methylhistidine
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
alpha-Methylhistidine587-20-2Histidine, alpha-methyl-DTXSID20207397CHEBI:70960RefChem:915557DTXCID20129888alpha-methyl-l-histidine(2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid62075-22-3(S)-2-Amino-3-(1H-imidazol-4-yl)-2-methylpropanoic acidSCHEMBL59406
Show more names
Histidine, α-methyl-Histidine Impurity 312-amino-3-(1H-imidazol-4-yl)-2-methylpropanoic acid
SCHEMBL2264734CHEMBL3251655CHEBI:189415(2S)-2-AMINO-3-(1H-IMIDAZOL-4-YL)-2-METHYLPROPANOIC ACIDAB76382(S)-2-Amino-3-(1H-imidazol-4-yl)-2-methylpropanoicacid
Database identifiers
- CAS
587-20-2- PubChem CID
- 150780
- DTXSID
DTXSID20207397- ChEMBL
CHEMBL3251655- ChEBI
CHEBI:189415- Nikkaji
- J1.272.481K
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 283 °C · 283 °C
- Boiling point
- 439.4 · 439.4±35.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 1.95 · 1.95±0.10(Predicted)
Chemistry & industry
Suppliers3 total
江苏洪珉药业有限公司18221292452 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Additional notes
DefinitionChEBI: Alpha-methyl-L-histidine is an alpha-methylhistidine that has L-configuration. It is functionally related to a L-histidine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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