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Bis-sulfone-PEG4-DBCO
| Catalog | CCR1854034700 |
| CAS | 1854034-70-0 |
| IUPAC Name | N-[2-[2-[2-[2-[3-[[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzamide |
| Molecular Weight | 1006.19 |
| Molecular Formula | C54H59N3O12S2 |
| 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)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C54H59N3O12S2/c1-40-11-21-48(22-12-40)70(62,63)38-47(39-71(64,65)49-23-13-41(2)14-24-49)53(60)44-17-19-45(20-18-44)54(61)56-28-30-67-32-34-69-36-35-68-33-31-66-29-26-51(58)55-27-25-52(59)57-37-46-9-4-3-7-42(46)15-16-43-8-5-6-10-50(43)57/h3-14,17-24,47H,25-39H2,1-2H3,(H,55,58)(H,56,61) |
| InChI Key | ADIRLUISORIXON-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 1910 |
| Exact Mass | 1005.35401667 |
| Monoisotopic Mass | 1005.35401667 |
| Topological Polar Surface Area | 218Ų |
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