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Biotin-PEG12-TCO
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Biotin-PEG12-TCO

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Catalog NumberCCR397
IUPAC Name[(4E)-Cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight967.2
Molecular FormulaC45H82N4O16S
Canonical SMILESC1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3
InChIInChI=1S/C45H82N4O16S/c50-42(11-7-6-10-41-43-40(38-66-41)48-44(51)49-43)46-12-14-53-16-18-55-20-22-57-24-26-59-28-30-61-32-34-63-36-37-64-35-33-62-31-29-60-27-25-58-23-21-56-19-17-54-15-13-47-45(52)65-39-8-4-2-1-3-5-9-39/h1-2,39-41,43H,3-38H2,(H,46,50)(H,47,52)(H2,48,49,51)/b2-1+/t39?,40-,41-,43-/m0/s1
InChI KeyZDANZNJGUBGSEN-FCZKULFPSA-N
ApplicationIEDDA Click Reaction
Complexity1220
Exact Mass966.54465371
Isomeric SMILESC1C/C=C/CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
Monoisotopic Mass966.54465371
Topological Polar Surface Area245Ų

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