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Dota-PEG5-C6-DBCO
| Catalog Number | CCR177 |
| Synonyms | DOTA-PEG5-C4-DBCO |
| IUPAC Name | 2-[4-[2-[2-[2-[2-[2-[2-[2-[[6-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| Molecular Weight | 982.13 |
| Molecular Formula | C49H71N7O14 |
| Canonical SMILES | C1CN(CCN(CCN(CCN1CC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)CC(=O)O)CC(=O)O)CC(=O)O |
| InChI | InChI=1S/C49H71N7O14/c57-44(11-5-6-12-46(59)56-35-42-9-2-1-7-40(42)13-14-41-8-3-4-10-43(41)56)50-15-25-66-27-29-68-31-33-70-34-32-69-30-28-67-26-16-51-45(58)36-52-17-19-53(37-47(60)61)21-23-55(39-49(64)65)24-22-54(20-18-52)38-48(62)63/h1-4,7-10H,5-6,11-12,15-39H2,(H,50,57)(H,51,58)(H,60,61)(H,62,63)(H,64,65) |
| InChI Key | KJESTZWHHDGJAU-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 1620 |
| Exact Mass | 981.50589996 |
| Monoisotopic Mass | 981.50589996 |
| Topological Polar Surface Area | 250Ų |
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