(S)-2-(6-(4-(4-Methoxyphenylsulfonamido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N([C@H](C(=O)O)C(C)C)C4)cc2)cc1- InChIKey
CSLOKYXIONHVLJ-DEOSSOPVSA-N- Molecular formula
- C26H26N2O6S
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.15115773
Names & identifiers
- Preferred name
- (S)-2-(6-(4-(4-Methoxyphenylsulfonamido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
- IUPAC
- (2S)-2-[5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoic acid
Names & synonyms
SCHEMBL2180935CSLOKYXIONHVLJ-DEOSSOPVSA-N(S)-2-(6-(4-(4-Methoxyphenylsulfonamido)phenyl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid
Database identifiers
- PubChem CID
- 67307482
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 856
Related reactions
1 records
Compound notes
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