Methionylasparagine
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Basic information
- CAS
36261-61-7- Standard SMILES
CSCCC(N)C(=O)NC(CC(N)=O)C(=O)O- InChIKey
JMEWFDUAFKVAAT-UHFFFAOYSA-N- Molecular formula
- C9H17N3O4S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.09397721
Overview
Methionyl-Asparagine is a dipeptide.
Names & identifiers
- Preferred name
- Methionylasparagine
- IUPAC
- 4-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoic acid
- English name
- H-MET-ASN-OH
- Molecular formula
- C9H17N3O4S
- Molecular weight
- 263.31
Names & synonyms
methionylasparagine36261-61-7Methionyl-AsparagineMN dipeptideM-N DipeptideMethionine Asparagine dipeptideMethionine-Asparagine dipeptideDTXSID003187332-((2-amino-1-hydroxy-4-(methylsulfanyl)butylidene)amino)-3-(C-hydroxycarbonimidoyl)propanoate2-((2-amino-1-hydroxy-4-(methylsulphanyl)butylidene)amino)-3-(C-hydroxycarbonimidoyl)propanoate2-((2-amino-1-hydroxy-4-(methylsulphanyl)butylidene)amino)-3-(C-hydroxycarbonimidoyl)propanoic acid2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoate
Show more names
H2N-MN-OHH-MET-ASN-OHMET-ASN PEPTIDEMET-ASN CRYSTALLINEL-METHIONYL-L-ASPARAGINEL-Asparagine, L-methionyl-
2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoate2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acidRefChem:352817DTXCID40269856JMEWFDUAFKVAAT-UHFFFAOYSA-NMet-Asn4-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoic acid(S)-4-Amino-2-((S)-2-amino-4-(methylthio)butanamido)-4-oxobutanoic acid
Database identifiers
- CAS
36261-61-7- PubChem CID
- 333467
- DTXSID
DTXSID00318733- ChEBI
CHEBI:188415
Properties
Computed structural propertiesFilling in
- XLogP
- -5
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
LogP-4.18
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 642.3 · 642.3±55.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 2.9 · 2.90±0.10(Predicted)
- Sequence
- H-Met-Asn-OH
Chemistry & industry
Applications
UsesH-Met-Asn-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: Met-Asn is a dipeptide obtained by formal condensation of the carboxy group of L-methionine with the amino group of L-asparagine. It is functionally related to a L-methionine and a L-asparagine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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