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DBCO-NHCO-PEG13-NHS ester
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DBCO-NHCO-PEG13-NHS ester

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Catalog NumberCCR187
SynonymsDBCO-NH-PEG13-NHS ester
IUPAC Name(2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Weight1046.2
Molecular FormulaC52H75N3O19
Canonical SMILESC1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIInChI=1S/C52H75N3O19/c56-48(53-16-13-49(57)54-43-46-7-2-1-5-44(46)9-10-45-6-3-4-8-47(45)54)14-17-61-19-21-63-23-25-65-27-29-67-31-33-69-35-37-71-39-41-73-42-40-72-38-36-70-34-32-68-30-28-66-26-24-64-22-20-62-18-15-52(60)74-55-50(58)11-12-51(55)59/h1-8H,11-43H2,(H,53,56)
InChI KeyHJSJNWDWFIZPPW-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1580
Exact Mass1045.49947717
Monoisotopic Mass1045.49947717
Topological Polar Surface Area233Ų

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