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Aminooxy-PEG2-bis-PEG3-BCN
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Aminooxy-PEG2-bis-PEG3-BCN

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Catalog NumberCCR273
IUPAC Name[(1S,8R)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[3-[2-[3-[2-(2-aminooxyethoxy)ethoxy]propanoylamino]-3-[3-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight1111.3
Molecular FormulaC54H90N6O18
Canonical SMILESC1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3C4C3CCC#CCC4)NC(=O)CCOCCOCCON)CCC#C1
InChIInChI=1S/C54H90N6O18/c55-78-38-37-73-32-27-66-20-15-52(63)60-43(39-74-21-13-50(61)56-16-23-67-28-33-71-35-30-69-25-18-58-53(64)76-41-48-44-9-5-1-2-6-10-45(44)48)40-75-22-14-51(62)57-17-24-68-29-34-72-36-31-70-26-19-59-54(65)77-42-49-46-11-7-3-4-8-12-47(46)49/h43-49H,5-42,55H2,(H,56,61)(H,57,62)(H,58,64)(H,59,65)(H,60,63)/t43?,44-,45+,46-,47+,48?,49?
InChI KeyAFIVWNAXECIOQD-IVTDGNKFSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1660
Exact Mass1110.63116004
Isomeric SMILESC1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3[C@H]4[C@@H]3CCC#CCC4)NC(=O)CCOCCOCCON)CCC#C1
Monoisotopic Mass1110.63116004
Topological Polar Surface Area292Ų

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