Basic information
- Standard SMILES
CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)[O-])cc1- InChIKey
BECRVUCMGRMHHZ-NRFANRHFSA-M- Molecular formula
- C26H33BNO5-
- Average molar mass
- 450.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-(4-(tert-butyl)benzamido)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
- IUPAC
- (2S)-2-[(4-tert-butylbenzoyl)amino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
Names & synonyms
BECRVUCMGRMHHZ-NRFANRHFSA-M(S)-2-(4-(tert-butyl)b enzamido)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate(S)-2-(4-(tert-butyl)benzamido)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-propanoate(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
- 86689677
Properties
Computed structural properties
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- -1
- Complexity
- 678
Related reactions
2 records
Compound notes
Loading…