Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)N[C@@H](Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(N)=O)CCOCC1- InChIKey
QPADCMLLFLILNL-IBGZPJMESA-N- Molecular formula
- C26H40BN3O7
- Average molar mass
- 517.4 g/mol
Names & identifiers
- Preferred name
- (S)-tert-Butyl 4-(1-amino-1-oxo-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(2S)-1-amino-1-oxo-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL290083QPADCMLLFLILNL-IBGZPJMESA-N(S)-tert-Butyl 4-(1-amino-1-oxo-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568592
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 828
Related reactions
10 records
Compound notes
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