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DBCO-COONHS ester
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DBCO-COONHS ester

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Catalog NumberCCR221
SynonymsDBCO-NHCO-C4-NHS ester
IUPAC Name(2,5-Dioxopyrrolidin-1-yl) 6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexanoate
Molecular Weight501.5
Molecular FormulaC28H27N3O6
Canonical SMILESC1CC(=O)N(C1=O)OC(=O)CCCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIInChI=1S/C28H27N3O6/c32-24(11-5-6-12-28(36)37-31-26(34)15-16-27(31)35)29-18-17-25(33)30-19-22-9-2-1-7-20(22)13-14-21-8-3-4-10-23(21)30/h1-4,7-10H,5-6,11-12,15-19H2,(H,29,32)
InChI KeyJNVYOJKXEPFCRS-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity950
Exact Mass501.18998559
Monoisotopic Mass501.18998559
Topological Polar Surface Area113Ų

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