2-(2,6-Diaminohexanoylamino)-3-methylbutanoic acid
Basic information
- CAS
20556-11-0- Standard SMILES
CC(C)C(NC(=O)C(N)CCCCN)C(=O)O- InChIKey
YQAIUOWPSUOINN-UHFFFAOYSA-N- Molecular formula
- C11H23N3O3
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.1739416
Overview
Lysyl-Valine is a dipeptide.
Names & identifiers
- Preferred name
- 2-(2,6-Diaminohexanoylamino)-3-methylbutanoic acid
- IUPAC
- 2-(2,6-diaminohexanoylamino)-3-methylbutanoic acid
- English name
- H-Lys-Val-OH
- Molecular formula
- C11H23N3O3
- Molecular weight
- 245.32
Names & synonyms
(S)-2-((S)-2,6-Diaminohexanamido)-3-methylbutanoic acid2-(2,6-diaminohexanoylamino)-3-methylbutanoic acidSCHEMBL14906253DTXSID30942742CHEBI:173751YQAIUOWPSUOINN-UHFFFAOYSA-NKVNSC319056N-(2,6-Diamino-1-hydroxyhexylidene)valineLys-ValH-Lys-Val-OHL-LYSYL-L-VALINE
Show more names
L-Valine, L-lysyl-
Database identifiers
- CAS
20556-11-0- PubChem CID
- 140709
- DTXSID
DTXSID30942742- ChEBI
CHEBI:173751
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 496.8 · 496.8±45.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.10(Predicted)
- Sequence
- H-Lys-Val-OH
- FDA UNII
- 4 A1U383X · ZB4A1U383X
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesH-Lys-Val-OH is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
Additional notes
DefinitionChEBI: A dipeptide formed from L-lysine and L-valine residues.
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