Basic information
- Standard SMILES
C[C@@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCc1ccccc1)C2=O- InChIKey
NIGAJTOGFXIKBR-GDJIYFAZSA-N- Molecular formula
- C28H35NO3
- Average molar mass
- 433.6 g/mol
- Monoisotopic mass
- 433.26169398
Names & identifiers
- Preferred name
- (2R)-2-[1-oxo-2-(2-phenylethyl)-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid
- IUPAC
- (2R)-2-[1-oxo-2-(2-phenylethyl)-5-[(1S)-1,3,3-trimethylcyclohexyl]-3H-isoindol-4-yl]propanoic acid
Names & synonyms
CHEMBL3343476
Database identifiers
- ChEMBL
CHEMBL3343476- Nikkaji
- J3.361.645G
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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