Account S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-methylbutanethioate
- Catalog No. :
- ACLBRM488
- CAS No. :
- 6244-91-3
- Molecular Formula :
- C26H44N7O17P3S
- Molecular Weight :
- 851.66
IUPAC Name:S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-methylbutanethioate
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Product Information
| Product Name | S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-methylbutanethioate |
|---|---|
| IUPAC Name | S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-methylbutanethioate |
| Molecular Formula | C26H44N7O17P3S |
| Molecular Weight | 851.66 |
| SMILES | CC(C)CC(SCCNC(CCNC([C@H](O)C(C)(C)COP(O)(OP(O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1OP(O)(O)=O)=O)=O)=O)=O)=O |
| InChI Key | UYVZIWWBJMYRCD-ZMHDXICWSA-N |
| Synonym | isovaleryl coenzyme a lithium salt hydrate;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(3-methylbutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid;Isovaleryl-CoA;isovaleryl-coenzyme A;IV-CoA;Coenzyme A, S-(3-methylbutanoate);3-Methylbutyryl-CoA |
| CAS No. | 6244-91-3 |
Synthetic Route by SureRoute
2. ACLBRM488 Molecular Building Block Synthetic Route
lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(butyrylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
Butanoyl CoenzyMe A
DL-3- hydroxybutyryl coenzyme A lithium salt