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Thiolinker-DBCO
| Catalog Number | CCR226 |
| Synonyms | Bis-sulfone-sulfo-PEG3-DBCO |
| IUPAC Name | 3-[3-[2-[2-[3-[[6-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]propoxy]ethoxy]ethoxy]propyl-[4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoyl]amino]propane-1-sulfonic acid |
| Molecular Weight | 1140.4 |
| Molecular Formula | C59H69N3O14S3 |
| 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)N(CCCOCCOCCOCCCNC(=O)CCCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)CCCS(=O)(=O)O |
| InChI | InChI=1S/C59H69N3O14S3/c1-45-18-28-53(29-19-45)77(67,68)43-52(44-78(69,70)54-30-20-46(2)21-31-54)58(65)49-24-26-50(27-25-49)59(66)61(34-11-41-79(71,72)73)33-10-36-75-38-40-76-39-37-74-35-9-32-60-56(63)16-7-8-17-57(64)62-42-51-14-4-3-12-47(51)22-23-48-13-5-6-15-55(48)62/h3-6,12-15,18-21,24-31,52H,7-11,16-17,32-44H2,1-2H3,(H,60,63)(H,71,72,73) |
| InChI Key | ICOSYVZVRASFKD-UHFFFAOYSA-N |
| Purity | 95%+ |
| Appearance | Solid |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 2260 |
| Exact Mass | 1139.39416740 |
| Monoisotopic Mass | 1139.39416740 |
| Topological Polar Surface Area | 262Ų |
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