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Mal-bis-PEG3-DBCO
| Catalog Number | CCR173 |
| IUPAC Name | 4-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[3-[3-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Molecular Weight | 1309.46 |
| Molecular Formula | C70H84N8O17 |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)NC(=O)CCN7C(=O)C=CC7=O |
| InChI | InChI=1S/C70H84N8O17/c79-62(21-23-69(86)77-49-57-13-3-1-9-53(57)17-19-55-11-5-7-15-60(55)77)71-30-37-88-41-45-92-47-43-90-39-32-73-64(81)28-35-94-51-59(75-66(83)27-34-76-67(84)25-26-68(76)85)52-95-36-29-65(82)74-33-40-91-44-48-93-46-42-89-38-31-72-63(80)22-24-70(87)78-50-58-14-4-2-10-54(58)18-20-56-12-6-8-16-61(56)78/h1-16,25-26,59H,21-24,27-52H2,(H,71,79)(H,72,80)(H,73,81)(H,74,82)(H,75,83) |
| InChI Key | YVRVBZDYHPVZNT-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 2450 |
| Exact Mass | 1308.59544324 |
| Monoisotopic Mass | 1308.59544324 |
| Topological Polar Surface Area | 297Ų |
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