Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1- InChIKey
TUZKSUNSCIVNII-DEOSSOPVSA-N- Molecular formula
- C30H42BNO5
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.3156036
Names & identifiers
- Preferred name
- tert-butyl (S)-2-(4-(tert-butyl)benzamido)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
- IUPAC
- tert-butyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
Names & synonyms
SCHEMBL15037036TUZKSUNSCIVNII-DEOSSOPVSA-Ntert-butyl (S)-2-(4-(tert-butyl)benzamido)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
Database identifiers
- PubChem CID
- 86689698
Properties
Computed structural properties
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 780
Related reactions
3 records
Compound notes
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