Basic information
- Standard SMILES
COC(=O)C(O)CNC(=O)c1ccc(C(Oc2cc(C)c(-c3ccc(C(C)C)cc3)c(C)c2)C(C)C)cc1- InChIKey
SAZGLLNKLIVVGM-UHFFFAOYSA-N- Molecular formula
- C32H39NO5
- Average molar mass
- 517.7 g/mol
- Monoisotopic mass
- 517.28282334
Names & identifiers
- Preferred name
- 2-Hydroxy-3-{4-[1-(4'-isopropyl-2,6-dimethyl-biphenyl-4-yloxy)-2-methyl-propyl]-benzoylamino}-propionic acid methyl ester
- IUPAC
- methyl 3-[[4-[1-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenoxy]-2-methylpropyl]benzoyl]amino]-2-hydroxypropanoate
Names & synonyms
SCHEMBL1765754SAZGLLNKLIVVGM-UHFFFAOYSA-N2-Hydroxy-3-{4-[1-(4'-isopropyl-2,6-dimethyl-biphenyl-4-yloxy)-2-methyl-propyl]-benzoylamino}-propionic acid methyl ester
Database identifiers
- PubChem CID
- 67153597
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 726
Related reactions
6 records
Compound notes
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