Histidylthreonine
Basic information
- CAS
142879-28-5- Standard SMILES
C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)O- InChIKey
WRPDZHJNLYNFFT-DTLFHODZSA-N- Molecular formula
- C10H16N4O4
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.117155
Names & identifiers
- Preferred name
- Histidylthreonine
- IUPAC
- (2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid
Names & synonyms
histidylthreonineHis-ThrHT dipeptideH-T DipeptideHistidinylthreonineL-Histidinyl-L-ThreonineHistidine Threonine dipeptideHistidine-Threonine dipeptideSCHEMBL8527615
Database identifiers
- CAS
142879-28-5- PubChem CID
- 9878293
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
LogP-4.54
Physical DescriptionSolid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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