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Amino-bis-PEG3-TCO
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Amino-bis-PEG3-TCO

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Catalog NumberCCR373
IUPAC Name[(1S,4E)-Cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[3-[2-amino-3-[3-[2-[2-[2-[2-[[(1S,4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight888.1
Molecular FormulaC43H77N5O14
Canonical SMILESC1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OC2CCCC=CCC2)N
InChIInChI=1S/C43H77N5O14/c44-37(35-59-21-15-40(49)45-17-23-53-27-31-57-33-29-55-25-19-47-42(51)61-38-11-7-3-1-4-8-12-38)36-60-22-16-41(50)46-18-24-54-28-32-58-34-30-56-26-20-48-43(52)62-39-13-9-5-2-6-10-14-39/h1-3,5,37-39H,4,6-36,44H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)/b3-1+,5-2+/t38-,39-/m1/s1
InChI KeyBXRHEONPMDBUBU-WXOXQJPBSA-N
ApplicationIEDDA Click Reaction
Complexity1110
Exact Mass887.54670215
Isomeric SMILESC1C[C@@H](CC/C=C/C1)OC(=O)NCCOCCOCCOCCNC(=O)CCOCC(N)COCCC(=O)NCCOCCOCCOCCNC(=O)O[C@@H]2CC/C=C/CCC2
Monoisotopic Mass887.54670215
Topological Polar Surface Area235Ų

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