Basic information
- Standard SMILES
CS(=O)(=O)c1cccc2c1CN([C@@H](CC1CCCCC1)C(=O)O)C2=O- InChIKey
PFDSEUJLJPKGSE-HNNXBMFYSA-N- Molecular formula
- C18H23NO5S
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- (S)-3-cyclohexyl-2-(4-methylsulfonyl-1-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid
- IUPAC
- (2S)-3-cyclohexyl-2-(7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)propanoic acid
Names & synonyms
SCHEMBL6186469PFDSEUJLJPKGSE-HNNXBMFYSA-N(S)-3-cyclohexyl-2-(4-methylsulfonyl-1-oxo-1,3-dihydro-isoindol-2-yl)-propionic acid
Database identifiers
- PubChem CID
- 69695789
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 620
Related reactions
3 records
Compound notes
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