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Tetrazine-Ph-NHCO-PEG6-NH-Boc
Catalog NumberCCR01140
CategoryTetrazines
| IUPAC Name | tert-Butyl N-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Molecular Weight | 622.7 |
| Molecular Formula | C29H46N6O9 |
| SMILES | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NCC1=CC=C(C=C1)C2=NN=CN=N2 |
| InChI | InChI=1S/C29H46N6O9/c1-29(2,3)44-28(37)30-9-11-39-13-15-41-17-19-43-21-20-42-18-16-40-14-12-38-10-8-26(36)31-22-24-4-6-25(7-5-24)27-34-32-23-33-35-27/h4-7,23H,8-22H2,1-3H3,(H,30,37)(H,31,36) |
| InChI Key | QCECJBAQKXRDKY-UHFFFAOYSA-N |
| Application | IEDDA Click Reaction |
| Complexity | 733 |
| Exact Mass | 622.33262707 |
| Monoisotopic Mass | 622.33262707 |
| Topological Polar Surface Area | 174Ų |
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