CID 7098697
Basic information
- CAS
20368-24-5- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]- InChIKey
UCNNZELZXFXXJQ-BZSNNMDCSA-N- Molecular formula
- C21H33N3O5
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.24202116
Overview
See also: Leucylleucyltyrosine (preferred).
Names & identifiers
- Preferred name
- CID 7098697
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
- English name
- Leu-Leu-Tyr
- Molecular formula
- C21H33N3O5
- Molecular weight
- 407.5
Names & synonyms
Leu-Leu-TyrH-LEU-LEU-TYR-OHL-Leu-L-Leu-L-Tyrleucyl-leucyl-tyrosineL-Leucyl-L-leucyl-L-tyrosineL-Tyrosine, L-leucyl-L-leucyl-L-Tyrosine, N-(N-L-leucyl-L-leucyl)-
Database identifiers
- CAS
20368-24-5- PubChem CID
- 7098697
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Boiling point
- 695.2 · 695.2±55.0 °C(Predicted)
- Density
- 1.173 · 1.173
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- pka
- 3.07 · 3.07±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Applications
UsesH-Leu-Leu-Tyr-OH can be used as a method for obtaining functional food for aftercare of oncological patients.
Additional notes
DefinitionChEBI: Leu-Leu-Tyr is a tripeptide composed of L-leucine, L-leucine and L-tyrosine joined in sequence by peptide linkages. It is functionally related to a L-tyrosine and a L-leucine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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