N6-[N-(6-Aminohexyl)carbamoylmethyl]-CoA

cas: 71974-85-1 — see every product listed under this CAS number, including other names

N6-[N-(6-Aminohexyl)carbamoylmethyl]-CoA (CAS 71974-85-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas71974-85-1
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Structural formula: {0} (CAS {1})

[[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate (CAS 71974-85-1) is a chemical compound with the molecular formula C29H52N9O17P3S and a molecular weight of 923.8 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate. InChIKey: PTXIBVQMIJSEJB-CECATXLMSA-N.

Identity
Molecular formulaC29H52N9O17P3S
Molecular weight923.8 g/mol
IUPAC name[[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
InChIKeyPTXIBVQMIJSEJB-CECATXLMSA-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)NCC(=O)NCCCCCCN)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O

Computed by PubChem (NCBI)

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