Basic information
- Standard SMILES
C=CCO[C@@H](C=O)[C@H](Cc1cc(C)cc(-n2c(C)ccc2C)n1)C(=O)OC(C)C- InChIKey
OAXUAXXUKUEFEP-SFTDATJTSA-N- Molecular formula
- C23H30N2O4
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- (2S,3R)-Isopropyl 3-(allyloxy)-2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-4-oxobutanoate
- IUPAC
- propan-2-yl (2S,3R)-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]methyl]-4-oxo-3-prop-2-enoxybutanoate
Names & synonyms
SCHEMBL13021006OAXUAXXUKUEFEP-SFTDATJTSA-N(2S,3R)-Isopropyl 3-(allyloxy)-2-((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methyl)-4-oxobutanoate
Database identifiers
- PubChem CID
- 44543305
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
4 records
Compound notes
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