Account N-((2S,3R)-3-Hydroxy-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6- methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxobutan-2-yl)-6-phenylpicolinamide
- Catalog No. :
- ACAQQO401
- CAS No. :
- 847494-64-8
- Molecular Formula :
- C31H42BN3O5
- Molecular Weight :
- 547.51
IUPAC Name:N-((2S,3R)-3-hydroxy-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxobutan-2-yl)-6-phenylpicolinamide
![N-((2S,3R)-3-Hydroxy-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6- methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxobutan-2-yl)-6-phenylpicolinamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | N-((2S,3R)-3-Hydroxy-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6- methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxobutan-2-yl)-6-phenylpicolinamide |
|---|---|
| IUPAC Name | N-((2S,3R)-3-hydroxy-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxobutan-2-yl)-6-phenylpicolinamide |
| Molecular Formula | C31H42BN3O5 |
| Molecular Weight | 547.51 |
| SMILES | O=C(N[C@@H]([C@H](O)C)C(N[C@H](B1O[C@@](C[C@@]2([H])C(C)(C)[C@]3([H])C2)([H])[C@@]3(C)O1)CC(C)C)=O)C4=NC(C5=CC=CC=C5)=CC=C4 |
| InChI Key | MQRLCCDKPUEHCQ-ABRLXTPQSA-N |
| Synonym | N-[(1S,2R)-1-[[[(1R)-1-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-triMethyl-4,6-Methano-1,3,2-benzodioxaborol-2-yl]-3-Methylbutyl]aMino]carbonyl]-2-hydroxypropyl]-6-phenyl-2-pyridinecarboxaMide;MQRLCCDKPUEHCQ-ABRLXTPQSA-N;2-Pyridinecarboxamide, N-[(1S,2R)-1-[[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]carbonyl]-2-hydroxypropyl]-6-phenyl- |
| CAS No. | 847494-64-8 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACAQQO401 Molecular Building Block Synthetic Route
((R)-1-((2S,3R)-3-Hydroxy-2-(6-phenylpicolinamido)butanamido)-3-methylbutyl)boronic acid
N-((S)-1-(((R)-3-Methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
N-((S)-1-(((R)-1-((4R,5R)-4,5-Bis((R)-1,2-dihydroxyethyl)-1,3,2-dioxaborolan-2-yl)-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide