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Diazo-PEG3-TCO
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Diazo-PEG3-TCO

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Catalog NumberCCR399
IUPAC Name[(4E)-Cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[[4-[[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight794
Molecular FormulaC45H59N7O6
Canonical SMILESCC1=CC(=C(C(=C1)C)N2C=CN(C2=NN=NC3=CC=C(C=C3)C(=O)NCCOCCOCCOCCNC(=O)OC4CCCC=CCC4)C5=C(C=C(C=C5C)C)C)C
InChIInChI=1S/C45H59N7O6/c1-32-28-34(3)41(35(4)29-32)51-20-21-52(42-36(5)30-33(2)31-37(42)6)44(51)49-50-48-39-16-14-38(15-17-39)43(53)46-18-22-55-24-26-57-27-25-56-23-19-47-45(54)58-40-12-10-8-7-9-11-13-40/h7-8,14-17,20-21,28-31,40H,9-13,18-19,22-27H2,1-6H3,(H,46,53)(H,47,54)/b8-7+,50-48?
InChI KeyUVEQCQPFYNNNBD-RLYYCHPISA-N
Purity98%
ApplicationIEDDA Click Reaction
Complexity1300
Exact Mass793.45268263
Isomeric SMILESCC1=CC(=C(C(=C1)C)N2C=CN(C2=NN=NC3=CC=C(C=C3)C(=O)NCCOCCOCCOCCNC(=O)OC4CCC/C=C/CC4)C5=C(C=C(C=C5C)C)C)C
Monoisotopic Mass793.45268263
Topological Polar Surface Area139Ų

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