Account Eg5-IN-2
- Catalog No. :
- ACDBST281
- CAS No. :
- 1629735-05-2
- Molecular Formula :
- C31H38F3N5O3
- Molecular Weight :
- 585.67
IUPAC Name:(R)-4-(1-benzyl-4-(2,5-difluorophenyl)-1H-imidazol-2-yl)-4-((S)-N-(((3S,4R)-4-fluoropyrrolidin-3-yl)methyl)-2-hydroxypropanamido)-N,3,3-trimethylbutanamide
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Product Information
| Product Name | Eg5-IN-2 |
|---|---|
| IUPAC Name | (R)-4-(1-benzyl-4-(2,5-difluorophenyl)-1H-imidazol-2-yl)-4-((S)-N-(((3S,4R)-4-fluoropyrrolidin-3-yl)methyl)-2-hydroxypropanamido)-N,3,3-trimethylbutanamide |
| Molecular Formula | C31H38F3N5O3 |
| Molecular Weight | 585.67 |
| SMILES | CNC(=O)CC(C)(C)[C@H](C1=NC(C2=CC(F)=CC=C2F)=CN1CC1=CC=CC=C1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@H](C)O |
| InChI Key | ORTCJMVBGRHSEH-YTVPYFAMSA-N |
| Synonym | Eg5-IN-2;1H-Imidazole-2-butanamide, 4-(2,5-difluorophenyl)-γ-[[[(3S,4R)-4-fluoro-3-pyrrolidinyl]methyl][(2S)-2-hydroxy-1-oxopropyl]amino]-N,β,β-trimethyl-1-(phenylmethyl)-, (γR)- |
| CAS No. | 1629735-05-2 |
Synthetic Route by SureRoute
2. ACDBST281 Molecular Building Block Synthetic Route
LP-6
NHS-Ala-Ala-Asn-active metabolite
Dimethyl ((2S,2'S)-((2S,2'S)-(((S)-6-(chroman-7-yl)-1-fluoro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-1,2-diyl))dicarbamate