Account Keap1-Nrf2-IN-5
- Catalog No. :
- ACMDRK339
- CAS No. :
- 2696272-70-3
- Molecular Formula :
- C23H30N4O6S
- Molecular Weight :
- 490.58
IUPAC Name:(4S,7R)-7-((S)-1-acetylpyrrolidine-2-carboxamido)-N,N-dimethyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1]oxa[8]thia[5]azacyclododecine-4-carboxamide
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Product Information
| Product Name | Keap1-Nrf2-IN-5 |
|---|---|
| IUPAC Name | (4S,7R)-7-((S)-1-acetylpyrrolidine-2-carboxamido)-N,N-dimethyl-6,10-dioxo-1,3,4,5,6,7,8,10-octahydrobenzo[j][1]oxa[8]thia[5]azacyclododecine-4-carboxamide |
| Molecular Formula | C23H30N4O6S |
| Molecular Weight | 490.58 |
| SMILES | CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)C3=CC=CC=C3CSC[C@@H](NC2=O)C(=O)N(C)C |
| InChI Key | URYMNBQTISFUDY-QRVBRYPASA-N |
| Synonym | 9,2,5-Benzoxathiaazacyclododecine-4-carboxamide, 7-[[[(2S)-1-acetyl-2-pyrrolidinyl]carbonyl]amino]-1,3,4,5,6,7,8,10-octahydro-N,N-dimethyl-6,10-dioxo-, (4S,7R)-;Keap1-Nrf2-IN-5 |
| CAS No. | 2696272-70-3 |
Synthetic Route by SureRoute
2. ACMDRK339 Molecular Building Block Synthetic Route
Cyclothialidine
2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-Amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid