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Diketone-PEG12-DBCO
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Diketone-PEG12-DBCO

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Catalog NumberCCR207
IUPAC Name4-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(3,5-dioxohexyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Molecular Weight1092.3
Molecular FormulaC58H81N3O17
Canonical SMILESCC(=O)CC(=O)CCC1=CC=C(C=C1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIInChI=1S/C58H81N3O17/c1-48(62)46-54(63)17-12-49-10-15-53(16-11-49)60-57(65)20-22-67-24-26-69-28-30-71-32-34-73-36-38-75-40-42-77-44-45-78-43-41-76-39-37-74-35-33-72-31-29-70-27-25-68-23-21-59-56(64)18-19-58(66)61-47-52-8-3-2-6-50(52)13-14-51-7-4-5-9-55(51)61/h2-11,15-16H,12,17-47H2,1H3,(H,59,64)(H,60,65)
InChI KeyHVYUYTQDCDUNKR-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1670
Exact Mass1091.55659812
Monoisotopic Mass1091.55659812
Topological Polar Surface Area223Ų

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