L-Alanyl-L-alanine

HCID 5484352

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

Experimental & physicochemical properties

LogP-3.38
Physical DescriptionSolid

Related reactions

4 records

Compound notes

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