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Biotin-PEG4-PC-PEG4-alkyne
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Biotin-PEG4-PC-PEG4-alkyne

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Catalog NumberCCR125
SynonymsPC-biotin-PEG4-PEG4-alkyne
IUPAC Name1-[5-[[3-[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]propanoylamino]methyl]-2-nitrophenyl]ethyl N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
Molecular Weight927.1
Molecular FormulaC42H66N6O15S
Canonical SMILESCC(C1=C(C=CC(=C1)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)[N+](=O)[O-])OC(=O)NCCOCCOCCOCCOCC#C
InChIInChI=1S/C42H66N6O15S/c1-3-13-55-17-21-59-25-27-62-24-20-58-16-12-44-42(52)63-32(2)34-29-33(8-9-36(34)48(53)54)30-45-39(50)10-14-56-18-22-60-26-28-61-23-19-57-15-11-43-38(49)7-5-4-6-37-40-35(31-64-37)46-41(51)47-40/h1,8-9,29,32,35,37,40H,4-7,10-28,30-31H2,2H3,(H,43,49)(H,44,52)(H,45,50)(H2,46,47,51)/t32?,35-,37-,40-/m0/s1
InChI KeyOMTHNWBCRDLESW-UFVNHSNHSA-N
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity1390
Exact Mass926.43068659
Isomeric SMILESCC(C1=C(C=CC(=C1)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-])OC(=O)NCCOCCOCCOCCOCC#C
Monoisotopic Mass926.43068659
Topological Polar Surface Area283 Ų

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