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TAMRA-PEG4-tetrazine
| Catalog Number | CCR316 |
| IUPAC Name | 2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate |
| Molecular Weight | 1693.9 |
| Molecular Formula | C90H100N16O18 |
| Canonical SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCOCCOCCOCCOCCC(=O)NCC5=CC=C(C=C5)C6=NN=CN=N6)C(=O)[O-].CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)NCCOCCOCCOCCOCCC(=O)NCC5=CC=C(C=C5)C6=NN=CN=N6)C(=O)[O-] |
| InChI | InChI=1S/2C45H50N8O9/c1-52(2)33-10-13-36-39(26-33)62-40-27-34(53(3)4)11-14-37(40)42(36)38-25-32(9-12-35(38)45(56)57)44(55)46-16-18-59-20-22-61-24-23-60-21-19-58-17-15-41(54)47-28-30-5-7-31(8-6-30)43-50-48-29-49-51-43;1-52(2)33-10-13-36-39(26-33)62-40-27-34(53(3)4)11-14-37(40)42(36)35-12-9-32(25-38(35)45(56)57)44(55)46-16-18-59-20-22-61-24-23-60-21-19-58-17-15-41(54)47-28-30-5-7-31(8-6-30)43-50-48-29-49-51-43/h2*5-14,25-27,29H,15-24,28H2,1-4H3,(H2-,46,47,54,55,56,57) |
| InChI Key | ALWNCKYHRQJXJO-UHFFFAOYSA-N |
| Application | IEDDA Click Reaction |
| Complexity | 3110 |
| Exact Mass | 1692.74015040 |
| Monoisotopic Mass | 1692.74015040 |
| Topological Polar Surface Area | 405Ų |
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