Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OCCNCCO1- InChIKey
AQYGSLUTAZLHEG-FPOVZHCZSA-N- Molecular formula
- C23H32BN5O4
- Average molar mass
- 453.3 g/mol
Names & identifiers
- Preferred name
- (2S)-N-[(1R)-1-(1,3,6,2-dioxazaborocan-2-yl)-3-methylbutyl]-3-phenyl-2-(pyrazin-2-ylformamido)propanamide
- IUPAC
- N-[(2S)-1-[[(1R)-1-(1,3,6,2-dioxazaborocan-2-yl)-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
Names & synonyms
SCHEMBL554362AQYGSLUTAZLHEG-FPOVZHCZSA-N(2S)-N-[(1R)-1-(1,3,6,2-dioxazaborocan-2-yl)-3-methylbutyl]-3-phenyl-2-(pyrazin-2-ylformamido)propan-amide(2S)-N-[(1R)-1-(1,3,6,2-dioxazaborocan-2-yl)-3-methylbutyl]-3-phenyl-2-(pyrazin-2-ylformamido)propanamide
Database identifiers
- PubChem CID
- 53327095
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 597
Related reactions
6 records
Compound notes
Loading…