2-[(2-Amino-3-hydroxybutanoyl)amino]butanedioic acid
Basic information
- CAS
108320-97-4- Standard SMILES
CC(O)C(N)C(=O)NC(CC(=O)O)C(=O)O- InChIKey
IOWJRKAVLALBQB-UHFFFAOYSA-N- Molecular formula
- C8H14N2O6
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.08518617
Names & identifiers
- Preferred name
- 2-[(2-Amino-3-hydroxybutanoyl)amino]butanedioic acid
- IUPAC
- 2-[(2-amino-3-hydroxybutanoyl)amino]butanedioic acid
- English name
- H-Thr-Asp-OH
- Molecular formula
- C8H14N2O6
- Molecular weight
- 234.21
Names & synonyms
2-[(2-amino-3-hydroxybutanoyl)amino]butanedioic acidThreoninyl-AspartateH-Thr-Asp-OH TFA saltDTXSID50390988TDFT108183Thr-AspH-Thr-Asp-OHL-Aspartic acid, L-threonyl-
Database identifiers
- CAS
108320-97-4- PubChem CID
- 3280446
- DTXSID
DTXSID50390988
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 562 · 562.0±50.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 2.89 · 2.89±0.10(Predicted)
- Sequence
- Thr-Asp
Chemistry & industry
Applications
UsesH-Thr-Asp-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-threonine and L-aspartic acid residues.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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