Basic information
- Standard SMILES
Cc1cc(C[C@H](C(=O)OC(C)C)[C@@H](O)C(=O)OC(C)C)nc(-n2c(C)ccc2C)c1- InChIKey
MLZYXKCVOOHJEO-PZJWPPBQSA-N- Molecular formula
- C23H32N2O5
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- (2S,3R)-Diisopropyl 2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-3-hydroxysuccinate
- IUPAC
- dipropan-2-yl (2S,3R)-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]methyl]-3-hydroxybutanedioate
Names & synonyms
SCHEMBL2858397MLZYXKCVOOHJEO-PZJWPPBQSA-N(2S,3R)-Diisopropyl 2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-3-hydroxysuccinate
Database identifiers
- PubChem CID
- 44543304
- Nikkaji
- J2.802.018J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Related reactions
2 records
Compound notes
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