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Methyltetrazine-PEG4-hydrazone-DBCO
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Methyltetrazine-PEG4-hydrazone-DBCO

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Catalog NumberCCR206
IUPAC Name4-[(Z)-[[4-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]hydrazinylidene]methyl]-N-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
Molecular Weight882.0
Molecular FormulaC48H51N9O8
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(C=C3)C=NNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChIInChI=1S/C48H51N9O8/c1-35-52-55-47(56-53-35)40-14-10-36(11-15-40)32-50-44(58)22-24-62-26-28-64-30-31-65-29-27-63-25-23-49-48(61)41-16-12-37(13-17-41)33-51-54-45(59)20-21-46(60)57-34-42-8-3-2-6-38(42)18-19-39-7-4-5-9-43(39)57/h2-17,33H,20-32,34H2,1H3,(H,49,61)(H,50,58)(H,54,59)/b51-33-
InChI KeyZJVZNEHWFCHHDP-UVXOUDFXSA-N
ApplicationIEDDA Click Reaction
Complexity1550
Exact Mass881.38605962
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(C=C3)/C=N\NC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
Monoisotopic Mass881.38605962
Topological Polar Surface Area208Ų

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