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Ald-Ph-PEG4-bis-PEG3-methyltetrazine
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Ald-Ph-PEG4-bis-PEG3-methyltetrazine

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Catalog NumberCCR307
IUPAC NameN-[2-[2-[2-[2-[3-[1,3-Bis[3-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-formylbenzamide
Molecular Weight1387.5
Molecular FormulaC66H94N14O19
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)CC3=CC=C(C=C3)C4=NN=C(N=N4)C)NC(=O)CCOCCOCCOCCOCCNC(=O)C5=CC=C(C=C5)C=O
InChIInChI=1S/C66H94N14O19/c1-50-73-77-64(78-74-50)55-9-3-52(4-10-55)45-62(85)69-20-28-91-34-40-95-38-32-89-26-18-67-59(82)15-24-98-48-58(72-61(84)17-23-88-31-37-94-43-44-97-42-36-93-30-22-71-66(87)57-13-7-54(47-81)8-14-57)49-99-25-16-60(83)68-19-27-90-33-39-96-41-35-92-29-21-70-63(86)46-53-5-11-56(12-6-53)65-79-75-51(2)76-80-65/h3-14,47,58H,15-46,48-49H2,1-2H3,(H,67,82)(H,68,83)(H,69,85)(H,70,86)(H,71,87)(H,72,84)
InChI KeyGCIAKGGRVBCSGV-UHFFFAOYSA-N
ApplicationIEDDA Click Reaction
Complexity2020
Exact Mass1386.68196682
Monoisotopic Mass1386.68196682
Topological Polar Surface Area406Ų

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