Basic information
- CAS
20727-65-5- Standard SMILES
C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O- InChIKey
XAEWTDMGFGHWFK-IMJSIDKUSA-N- Molecular formula
- C7H12N2O5
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.07462149
Overview
Ala-Asp is a dipeptide formed from L-alanyl and L-aspartic acid residues. It has a role as a metabolite. It is a conjugate acid of an Ala-Asp(1-).
Names & identifiers
- Preferred name
- Ala-Asp
- IUPAC
- (2S)-2-[[(2S)-2-aminopropanoyl]amino]butanedioic acid
Names & synonyms
H-Ala-Asp-OHAla-asp20727-65-5Alanylaspartic acidl-alanyl-l-aspartic acidAlanylaspartateAD dipeptideA-D DipeptideNSC 186912Alanyl-Aspartic acidAlanine Aspartate dipeptideAlanine-Aspartate dipeptide
Show more names
(2S)-2-[[(2S)-2-aminopropanoyl]amino]butanedioic acidCHEBI:73803Alanyl-AspartateN-Alanylaspartic acid(2S)-2-(((2S)-2-aminopropanoyl)amino)butanedioic acidN-L-Alanyl-L-aspartic acidN-AlanylaspartateN-L-Alanyl-L-aspartate
Database identifiers
- CAS
20727-65-5- PubChem CID
- 99719
- ChEMBL
CHEMBL380047- ChEBI
CHEBI:73803- Nikkaji
- J149.631J
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
LogP-4.31
Physical DescriptionSolid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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