Fenoprofen-CoA

cas: 139610-52-9 — see every product listed under this CAS number, including other names

Fenoprofen-CoA (CAS 139610-52-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas139610-52-9
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Structural formula: {0} (CAS {1})

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] 2-(3-phenoxyphenyl)propanethioate (CAS 139610-52-9) is a chemical compound with the molecular formula C36H48N7O18P3S and a molecular weight of 991.8 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] 2-(3-phenoxyphenyl)propanethioate. InChIKey: OTTFNKHXEHYZEJ-XGYIYSKBSA-N.

Identity
Molecular formulaC36H48N7O18P3S
Molecular weight991.8 g/mol
IUPAC nameS-[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] 2-(3-phenoxyphenyl)propanethioate
InChIKeyOTTFNKHXEHYZEJ-XGYIYSKBSA-N
SMILESCC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

Synonyms: orb3144562

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