(2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoate
Basic information
- CAS
90729-28-5- Standard SMILES
CSCC[C@H](NC(=O)[C@@H]([NH3+])[C@@H](C)O)C(=O)[O-]- InChIKey
APIDTRXFGYOLLH-VQVTYTSYSA-N- Molecular formula
- C9H18N2O4S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.09872823
Overview
See also: Thr-Met (preferred).
Names & identifiers
- Preferred name
- (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoate
- IUPAC
- (2S)-2-[[(2S,3R)-2-azaniumyl-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoate
- English name
- H-Thr-Met-OH
- Molecular formula
- C9H18N2O4S
- Molecular weight
- 250.32
Names & synonyms
L-THR-METH-Thr-Met-OHL-Methionine, L-threonyl-(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoicacid
Database identifiers
- CAS
90729-28-5- PubChem CID
- 7020164
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
LogP-3.36
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 583.2 · 583.2±50.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.03 · 3.03±0.10(Predicted)
- Sequence
- H-Thr-Met-OH
Chemistry & industry
Applications
UsesH-Thr-Met-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: Thr-Met is a dipeptide formed from L-threonine and L-methionine residues. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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