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DBCO-NHS ester 3
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DBCO-NHS ester 3

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Catalog NumberCCR1393350270
CAS1393350-27-0
SynonymsDBCO-C5-NHS ester
IUPAC Name(2,5-Dioxopyrrolidin-1-yl) 5-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-5-oxopentanoate
Molecular Weight416.43
Molecular FormulaC24H20N2O5
Canonical SMILESC1CC(=O)N(C1=O)OC(=O)CCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIInChI=1S/C24H20N2O5/c27-21(10-5-11-24(30)31-26-22(28)14-15-23(26)29)25-16-19-8-2-1-6-17(19)12-13-18-7-3-4-9-20(18)25/h1-4,6-9H,5,10-11,14-16H2
InChI KeyCFQHVJJWCDJMLI-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity793
Exact Mass416.13722174
Monoisotopic Mass416.13722174
Topological Polar Surface Area84Ų

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