Products 945411-96-1
CAS 945411-96-1 is the registry number for Levodopa-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanethioate (CAS 945411-96-1) is a chemical compound with the molecular formula C30H45N8O19P3S and a molecular weight of 946.7 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanethioate. InChIKey: RLAWQHCQTLPQFY-GZDFVCBESA-N.
| Molecular formula | C30H45N8O19P3S |
|---|---|
| Molecular weight | 946.7 g/mol |
| IUPAC name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanethioate |
| InChIKey | RLAWQHCQTLPQFY-GZDFVCBESA-N |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@H](CC4=CC(=C(C=C4)O)O)N)O |
Computed by PubChem (NCBI)
Synonyms:
orb3144648