Basic information
- Standard SMILES
CCC(C)CN1Cc2c(ccc([C@@]3(C)CCCC(C)(C)C3)c2[C@@H](C)C(=O)O)C1=O- InChIKey
YLLSQWGUHUENHT-JDSODNTQSA-N- Molecular formula
- C25H37NO3
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.27734404
Names & identifiers
- Preferred name
- (2R)-2-[2-(2-methylbutyl)-1-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid
- IUPAC
- (2R)-2-[2-(2-methylbutyl)-1-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid
Names & synonyms
CHEMBL3343477
Database identifiers
- ChEMBL
CHEMBL3343477- Nikkaji
- J3.361.646E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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