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Bis-sulfone-PEG4-tetrazine
| Catalog Number | CCR311 |
| Synonyms | Bis-sulfone-PEG4-methyltetrazine |
| IUPAC Name | 4-[3-(4-Methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]-N-[2-[2-[2-[2-[3-[3-(6-methyl-1,2,4,5-tetrazin-3-yl)propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide |
| Molecular Weight | 883.0 |
| Molecular Formula | C42H54N6O11S2 |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCC4=NN=C(N=N4)C |
| InChI | InChI=1S/C42H54N6O11S2/c1-31-6-14-37(15-7-31)60(52,53)29-36(30-61(54,55)38-16-8-32(2)9-17-38)41(50)34-10-12-35(13-11-34)42(51)44-20-22-57-24-26-59-28-27-58-25-23-56-21-18-40(49)43-19-4-5-39-47-45-33(3)46-48-39/h6-17,36H,4-5,18-30H2,1-3H3,(H,43,49)(H,44,51) |
| InChI Key | DXHMDPDGPFQNJK-UHFFFAOYSA-N |
| Application | IEDDA Click Reaction |
| Complexity | 1440 |
| Exact Mass | 882.32919891 |
| Monoisotopic Mass | 882.32919891 |
| Topological Polar Surface Area | 249Ų |
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