Basic information
- CAS
72255-22-2- Standard SMILES
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(O)CC(C)C- InChIKey
UEMITRHHPAFVRD-MLCCFXAWSA-N- Molecular formula
- C17H25NO5
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.1732729
Names & identifiers
- Preferred name
- alpha-Hydroxyisocaproyltyrosine
- IUPAC
- ethyl (2S)-2-[(2-hydroxy-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate
Names & synonyms
alpha-Hydroxyisocaproyltyrosine72255-22-2RefChem:111254ethyl (2S)-2-[(2-hydroxy-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoateDTXSID10993010DL-Tyrosine, N-(2-hydroxy-4-methyl-1-oxopentyl)-, ethyl esterN-[1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-hydroxy-4-methylpentanimidic acidN-[(2S)-1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-hydroxy-4-methylpentanimidic acid
Database identifiers
- CAS
72255-22-2- PubChem CID
- 192008
- DTXSID
DTXSID10993010
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…