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Acid-PEG1-bis-PEG3-BCN
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Acid-PEG1-bis-PEG3-BCN

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Catalog NumberCCR271
IUPAC Name2-[2-[1,3-Bis[3-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-2-oxoethoxy]acetic acid
Molecular Weight1052.2
Molecular FormulaC51H81N5O18
Canonical SMILESC1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)OCC3C4C3CCC#CCC4)NC(=O)COCC(=O)O)CCC#C1
InChIInChI=1S/C51H81N5O18/c57-46(52-15-21-64-25-29-68-31-27-66-23-17-54-50(62)73-35-44-40-9-5-1-2-6-10-41(40)44)13-19-70-33-39(56-48(59)37-72-38-49(60)61)34-71-20-14-47(58)53-16-22-65-26-30-69-32-28-67-24-18-55-51(63)74-36-45-42-11-7-3-4-8-12-43(42)45/h39-45H,5-38H2,(H,52,57)(H,53,58)(H,54,62)(H,55,63)(H,56,59)(H,60,61)/t39?,40-,41+,42-,43+,44?,45?
InChI KeyGUNWFXDIBGHKDR-RQOJCTGOSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1650
Exact Mass1051.55766075
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)COCC(=O)O)CCC#C1
Monoisotopic Mass1051.55766075
Topological Polar Surface Area284Ų

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