Basic information
- CAS
1644661-10-8- Standard SMILES
C[C@H](N)C(=O)N[C@@H](C)C(=O)O- InChIKey
DEFJQIDDEAULHB-IMJSIDKUSA-N- Molecular formula
- C6H12N2O3
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.08479224
Overview
L-alanyl-L-alanine is a dipeptide consisting of two L-alanine units joined by a peptide linkage. It has a role as a Mycoplasma genitalium metabolite. It is functionally related to a L-alanine. It is a tautomer of an Ala-Ala zwitterion.
Names & identifiers
- Preferred name
- L-Alanyl-L-alanine
- IUPAC
- (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
Names & synonyms
L-Alanyl-L-alanine1948-31-8Dialanine(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acidMY4X7L3WAML-Ala-L-AlaCHEBI:72816DTXSID00173127(2S)-2-(((2S)-2-aminopropanoyl)amino)propanoic acid(2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic acidRefChem:1088109DTXCID1095618
Show more names
(2S)-2-(((2S)-2-azaniumylpropanoyl)amino)propanoate217-751-7Ala-alaN-L-Alanyl-L-alanineAla-Ala-OHAlanyl-alanine(S)-2-((S)-2-Aminopropanamido)propanoic acidDi-L-Alanine
Database identifiers
- CAS
1644661-10-8、1948-31-8- PubChem CID
- 5484352
- DTXSID
DTXSID00173127- ChEMBL
CHEMBL17697- ChEBI
CHEBI:72816- UNII
- 37AOH3N58S、MY4X7L3WAM
- EC Number
- 217-751-7
- Nikkaji
- J47.023F
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
LogP-3.38
Physical DescriptionSolid
Related reactions
4 records
Compound notes
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