2-Azaoctanoyl-CoA

cas: 134757-66-7 — see every product listed under this CAS number, including other names

2-Azaoctanoyl-CoA (CAS 134757-66-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas134757-66-7
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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] N-hexylcarbamothioate (CAS 134757-66-7) is a chemical compound with the molecular formula C28H49N8O17P3S and a molecular weight of 894.7 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] N-hexylcarbamothioate. InChIKey: DSELVOCPWSMCGC-TYHXJLICSA-N.

Identity
Molecular formulaC28H49N8O17P3S
Molecular weight894.7 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] N-hexylcarbamothioate
InChIKeyDSELVOCPWSMCGC-TYHXJLICSA-N
SMILESCCCCCCNC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O

Computed by PubChem (NCBI)

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