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Mal-PEG4-bis-PEG3-methyltetrazine
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Mal-PEG4-bis-PEG3-methyltetrazine

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Catalog NumberCCR299
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]-3-(2,5-dioxopyrrol-1-yl)propanamide
Molecular Weight1406.5
Molecular FormulaC65H95N15O20
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)CCN5C(=O)C=CC5=O
InChIInChI=1S/C65H95N15O20/c1-49-72-76-64(77-73-49)53-7-3-51(4-8-53)45-60(85)69-20-29-93-35-40-96-38-32-91-27-18-67-57(82)14-24-99-47-55(71-59(84)16-23-89-31-37-95-43-44-98-42-34-90-26-17-66-56(81)13-22-80-62(87)11-12-63(80)88)48-100-25-15-58(83)68-19-28-92-33-39-97-41-36-94-30-21-70-61(86)46-52-5-9-54(10-6-52)65-78-74-50(2)75-79-65/h3-12,55H,13-48H2,1-2H3,(H,66,81)(H,67,82)(H,68,83)(H,69,85)(H,70,86)(H,71,84)
InChI KeyWLVVAWAUKNCOQP-UHFFFAOYSA-N
ApplicationIEDDA Click Reaction
Complexity2160
Exact Mass1405.68778048
Monoisotopic Mass1405.68778048
Topological Polar Surface Area426Ų

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