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N-(Methyltetrazine-PEG4)-N-biotin-PEG4-NHS
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N-(Methyltetrazine-PEG4)-N-biotin-PEG4-NHS

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Catalog NumberCCR342
IUPAC Name(2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Weight1020.2
Molecular FormulaC46H69N9O15S
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)C(=O)CCCCC4C5C(CS4)NC(=O)N5
InChIInChI=1S/C46H69N9O15S/c1-34-50-52-45(53-51-34)36-8-6-35(7-9-36)32-39(56)47-13-17-63-21-25-67-29-31-69-27-23-65-19-15-54(40(57)5-3-2-4-38-44-37(33-71-38)48-46(61)49-44)14-18-64-22-26-68-30-28-66-24-20-62-16-12-43(60)70-55-41(58)10-11-42(55)59/h6-9,37-38,44H,2-5,10-33H2,1H3,(H,47,56)(H2,48,49,61)/t37-,38-,44-/m1/s1
InChI KeyMJODMZCMGVHYJD-HNORLJNWSA-N
ApplicationIEDDA Click Reaction
Storage-20 °C
Complexity1560
Exact Mass1019.46338370
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)C(=O)CCCC[C@@H]4[C@H]5[C@@H](CS4)NC(=O)N5
Monoisotopic Mass1019.46338370
Topological Polar Surface Area305Ų

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