Products 83889-68-3

CAS 83889-68-3 is the registry number for S-[2-[[4-[(3-Aminopropyl)amino]butyl]amino]-2-oxoethyl]-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

[[(3R)-4-[[3-[2-[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate (CAS 83889-68-3) is a chemical compound with the molecular formula C30H55N10O17P3S and a molecular weight of 952.8 g/mol. IUPAC name: [[(3R)-4-[[3-[2-[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate. InChIKey: CSVGELBXUMEGSQ-FUEUKBNZSA-N.

Identity
Molecular formulaC30H55N10O17P3S
Molecular weight952.8 g/mol
IUPAC name[[(3R)-4-[[3-[2-[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
InChIKeyCSVGELBXUMEGSQ-FUEUKBNZSA-N
SMILESCC(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)NCCSCC(=O)NCCCCNCCCN)O

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