Account N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide
- Catalog No. :
- ACDKZX672
- CAS No. :
- 177262-32-7
- Molecular Formula :
- C36H42N2O8
- Molecular Weight :
- 630.74
IUPAC Name:N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide
![N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide |
|---|---|
| IUPAC Name | N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide |
| MDL No. | MFCD28100591 |
| Molecular Formula | C36H42N2O8 |
| Molecular Weight | 630.74 |
| SMILES | CCC(C)C(=O)N[C@@H]1CCCN1C(=O)[C@H]1[C@H](C2=CC=CC=C2)[C@]2(C3=CC=C(OC)C=C3)OC3=C(C(OC)=CC(OC)=C3)[C@@]1(O)[C@@H]2O |
| InChI Key | KPCVKSYNYMIDEN-CQDAKBOLSA-N |
| Synonym | Aglain B;Aglaine B;Butanamide, 2-methyl-N-[(2S)-1-[[(2S,3R,4S,5S,10R)-2,3,4,5-tetrahydro-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,5-methano-1-benzoxepin-4-yl]carbonyl]-2-pyrrolidinyl]-, (2S)-;N-[1-[(1S,9S)-1,12-Dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl ]pyrrolidin-2-yl]-2-methylbutanamide |
| CAS No. | 177262-32-7 |
Synthetic Route by SureRoute
2. ACDKZX672 Molecular Building Block Synthetic Route
(S)-N-((S)-1-((2S,3S,4R,5S,10R)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide
(R)-N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-3-carbonyl)pyrrolidin-2-yl)-2-hydroxy-2-methylbutanamide
(1R,2R,3S,3aR,8bS)-1,8b-Dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxamide