Asn-Gln
Basic information
- CAS
14608-83-4- Standard SMILES
NC(=O)CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O- InChIKey
QCWJKJLNCFEVPQ-WHFBIAKZSA-N- Molecular formula
- C9H16N4O5
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.11206962
Overview
Asn-Gln is a dipeptide composed of L-asparagine and L-glutamine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-asparagine and a L-glutamine.
Names & identifiers
- Preferred name
- Asn-Gln
- IUPAC
- (2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid
- English name
- L-Asn-L-Gln-OH
- Molecular formula
- C9H16N4O5
- Molecular weight
- 260.25
Names & synonyms
Asn-GlnL-asparaginyl-L-glutamineL-Asn-L-Gln(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acidCHEBI:73421asparagylglutamine(2S)-5-amino-2-(((2S)-2,4-diamino-4-oxobutanoyl)amino)-5-oxopentanoic acidRefChem:114549QCWJKJLNCFEVPQ-UHFFFAOYSA-N14608-83-4asparaginyl-glutamineL-Asn-L-Gln-OH
Show more names
L-Glutamine, L-asparaginyl-N2-L-Asparaginyl-L-glutamine
NQ dipeptideN-Q DipeptideAsparaginylglutamineAsparagine Glutamine dipeptideAsparagine-Glutamine dipeptideSCHEMBL5970329DTXSID701370695Q27140506
Database identifiers
- CAS
14608-83-4- PubChem CID
- 446922
- DTXSID
DTXSID701370695- ChEBI
CHEBI:73421- EC Number
- 800-068-9
- Nikkaji
- J36.187I
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
LogP-5.99
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 799 · 799.0±60.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 228 · H228
- Precautionary statements
- 210 · P210-P240-P241-P280-P370+P378
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H228
- Precautionary statements
- P210-P240-P241-P280-P370+P378
Chemistry & industry
Additional notes
DefinitionChEBI: Asn-Gln is a dipeptide composed of L-asparagine and L-glutamine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-asparagine and a L-glutamine.
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