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) but-2-enethioate
- Catalog No. :
- ACTQBL550
- CAS No. :
- 992-67-6
- Molecular Formula :
- C25H40N7O17P3S
- Molecular Weight :
- 835.62
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) but-2-enethioate
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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) but-2-enethioate |
|---|---|
| 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) but-2-enethioate |
| Molecular Formula | C25H40N7O17P3S |
| Molecular Weight | 835.62 |
| SMILES | CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O |
| InChI Key | KFWWCMJSYSSPSK-CITAKDKDSA-N |
| Synonym | S-but-2-enoylcoenzyme A;EINECS 213-595-9;5'-O-[[[3-Hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-(1-oxo-2-butenylthio)ethyl]amino]propyl]amino]butyl]phosphono]phosphono]-3'-adenylic acid;Coenzyme A S-(2-butenoate);but-2-enoyl-CoA;Butenoyl-Coenzyme A |
| CAS No. | 992-67-6 |
Synthetic Route by SureRoute
2. ACTQBL550 Molecular Building Block Synthetic Route
S-(2-(3-(4-((((((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) (E)-but-2-enethioate, lithium salt
S-(2-(3-(4-((((((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-methylbut-2-enethioate, lithium salt
Acryloyl-CoA