Basic information
- Standard SMILES
Cc1cc(B(O)O)ccc1CCOC(=O)Nc1cccc(C(C)NC(=O)OCc2ccccc2)c1- InChIKey
WQIZRVCRZIFPNG-UHFFFAOYSA-N- Molecular formula
- C26H29BN2O6
- Average molar mass
- 476.3 g/mol
- Monoisotopic mass
- 476.2118668
Names & identifiers
- Preferred name
- [3-Methyl-4-[2-[[3-[1-(phenylmethoxycarbonylamino)ethyl]phenyl]carbamoyloxy]ethyl]phenyl]boronic acid
- IUPAC
- [3-methyl-4-[2-[[3-[1-(phenylmethoxycarbonylamino)ethyl]phenyl]carbamoyloxy]ethyl]phenyl]boronic acid
Names & synonyms
SCHEMBL3866170
Database identifiers
- PubChem CID
- 68819476
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 660
Related reactions
3 records
Compound notes
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