Account S-((R)-1-(((((3R,5S)-1-((S)-2-(11-(7-(3,5-Difluoropyridin-2-yl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)propan-2-yl) methanesulfonothioate
- Catalog No. :
- ACILKR252
- CAS No. :
- 3026420-39-0
- Molecular Formula :
- C61H75F2N9O12S4
- Molecular Weight :
- 1292.59
IUPAC Name:S-((R)-1-(((((3R,5S)-1-((S)-2-(11-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)propan-2-yl) methanesulfonothioate
![S-((R)-1-(((((3R,5S)-1-((S)-2-(11-(7-(3,5-Difluoropyridin-2-yl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)propan-2-yl) methanesulfonothioate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | S-((R)-1-(((((3R,5S)-1-((S)-2-(11-(7-(3,5-Difluoropyridin-2-yl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)propan-2-yl) methanesulfonothioate |
|---|---|
| IUPAC Name | S-((R)-1-(((((3R,5S)-1-((S)-2-(11-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)propan-2-yl) methanesulfonothioate |
| Molecular Formula | C61H75F2N9O12S4 |
| Molecular Weight | 1292.59 |
| SMILES | CC1=C(C2=CC=C(C=C2)CNC([C@@H]3C[C@@H](OC(OC[C@H](SS(C)(=O)=O)C)=O)CN3C([C@H](C(C)(C)C)NC(CCCCCCCCCCNC(C4=CC(N(CC5=CNC6=C57)C8=NC=C(C=C8F)F)=C(C=C4CS(=O)(C)=O)C7=CN(C6=O)C)=O)=O)=O)=O)SC=N1 |
| InChI Key | XFVLGTSZPLRRLI-HXMREKMRSA-N |
| CAS No. | 3026420-39-0 |
Synthetic Route by SureRoute
2. ACILKR252 Molecular Building Block Synthetic Route
S-(3-(((((3R,5S)-1-((S)-2-(11-(4-(3,5-Difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamido)undecanamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)butan-2-yl) methanesulfonothioate
S-(1-(((((3R,5S)-1-((S)-15-(tert-Butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)-2-methylpropan-2-yl) methanesulfonothioate
S-(3-(((((3R,5S)-1-((S)-15-(tert-Butyl)-1-(4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulen-6-yl)-1,13-dioxo-5,8,11-trioxa-2,14-diazahexadecan-16-oyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)butan-2-yl) methanesulfonothioate