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Basic information
- Standard SMILES
C[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O- InChIKey
TWTWRTINIOVYRC-LGGPFLRQSA-N- Molecular formula
- C29H37BN2O4
- Average molar mass
- 488.4 g/mol
Names & identifiers
- Preferred name
- 2,2-dimethyl-3-((R)-2-oxo-6-phenyl-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)propanenitrile
- IUPAC
- 2,2-dimethyl-3-[(6R)-2-oxo-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-6-yl]propanenitrile
Names & synonyms
SCHEMBL117579TWTWRTINIOVYRC-LGGPFLRQSA-N2,2-dimethyl-3-((R)-2-oxo-6-phenyl-3-((S)-1-(4-(4, 4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)propanenitrile2,2-dimethyl-3-((R)-2-oxo-6-phenyl-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)propanenitrile
Database identifiers
- PubChem CID
- 59635685
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 835
Related reactions
23 records
Compound notes
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