N-{4-[(3,7-Dimethyloctan-3-yl)oxy]phenyl}-L-phenylalanine
Basic information
- CAS
87991-53-5- Standard SMILES
CCC(C)(CCCC(C)C)Oc1ccc(N[C@@H](Cc2ccccc2)C(=O)O)cc1- InChIKey
JOFBILCRNVHUOU-LFQPHHBNSA-N- Molecular formula
- C25H35NO3
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.26169398
Names & identifiers
- Preferred name
- N-{4-[(3,7-Dimethyloctan-3-yl)oxy]phenyl}-L-phenylalanine
- IUPAC
- (2S)-2-[4-(3,7-dimethyloctan-3-yloxy)anilino]-3-phenylpropanoic acid
Names & synonyms
87991-53-5DTXSID00831199N-{4-[(3,7-Dimethyloctan-3-yl)oxy]phenyl}-L-phenylalanine
Database identifiers
- CAS
87991-53-5- PubChem CID
- 71411596
- DTXSID
DTXSID00831199
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…