Basic information
- Standard SMILES
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O- InChIKey
HSQGMTRYSIHDAC-BQBZGAKWSA-N- Molecular formula
- C9H18N2O3
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.13174244
Overview
Leu-Ala is a dipeptide composed of L-leucine and L-alanine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-leucine and a L-alanine.
Names & identifiers
- Preferred name
- L-Leucyl-L-alanine
- IUPAC
- (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoic acid
Names & synonyms
L-Leucyl-L-alanine7298-84-2Leu-alaLeucyl-alanineLeucylalanineL-Alanine, L-leucyl-L-Alanine, N-L-leucyl-Alanine, N-L-leucyl-, L-M5Z5KX9GYZCHEBI:73527DTXSID60884368NSC-89180
Show more names
RefChem:798997(2S)-2-(((2S)-2-amino-4-methylpentanoyl)amino)propanoic acidDTXCID601023813230-737-5(2S)-2-(((2S)-2-azaniumyl-4-methylpentanoyl)amino)propanoateH-Leu-Ala-OH(S)-2-((S)-2-Amino-4-methylpentanamido)propanoic acidL-Leucyl-L-alanine hydrate
Database identifiers
- CAS
7298-84-2- PubChem CID
- 81721
- DTXSID
DTXSID60884368- ChEMBL
CHEMBL541207- ChEBI
CHEBI:73527- UNII
- M5Z5KX9GYZ
- EC Number
- 230-737-5
- Nikkaji
- J81.361C
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
LogP-2.13
Physical Description
White powder; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section148.09 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
Hazard information
Hazards SummaryMay cause irritation; May cause skin sensitization (based on QSAR modeling); [Sigma-Aldrich MSDS] Search for 7298-84-2 AND (allergic OR dermatitis OR sensitizer OR sensitization OR sensitisation) = no results; [PubMed]
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Alanine, L-leucyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…