Account (3S)-5-((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)thio)-3-hydroxy-3-methyl-5-oxopentanoic acid
- Catalog No. :
- ACTFPI967
- CAS No. :
- 26926-09-0
- Molecular Formula :
- C27H44N7O20P3S
- Molecular Weight :
- 911.67
IUPAC Name:(3S)-5-((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)thio)-3-hydroxy-3-methyl-5-oxopentanoic acid
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Product Information
| Product Name | (3S)-5-((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)thio)-3-hydroxy-3-methyl-5-oxopentanoic acid |
|---|---|
| IUPAC Name | (3S)-5-((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)thio)-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Molecular Formula | C27H44N7O20P3S |
| Molecular Weight | 911.67 |
| SMILES | CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)CC(=O)O |
| InChI Key | CABVTRNMFUVUDM-VRHQGPGLSA-N |
| Synonym | S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A | S-(Hydrogen 3-hydroxy-3-methylpentanedioate | SCHEMBL1198 | S-(Hydrogen 3-hydroxy-3-methylpentanedioic acid | 3-hydroxy-3-methyl-Glutaryl-Coenzyme A | 3-hydroxy-3-methylglutaryl-coenzyme A | CHEBI:15467 |
| CAS No. | 26926-09-0 |
| PubChem CID | 445127 |
Synthetic Route by SureRoute
2. ACTFPI967 Molecular Building Block Synthetic Route
HMG-CoA
Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), diSodium salt
6-((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)thio)-4-hydroxy-6-oxohexanoic acid