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endo-BCN-PEG3-mal
| Catalog Number | CCR2141976330 |
| CAS | 2141976-33-0 |
| IUPAC Name | [(1S,8R)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Molecular Weight | 519.6 |
| Molecular Formula | C26H37N3O8 |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)CCC#C1 |
| InChI | InChI=1S/C26H37N3O8/c30-23(9-12-29-24(31)7-8-25(29)32)27-10-13-34-15-17-36-18-16-35-14-11-28-26(33)37-19-22-20-5-3-1-2-4-6-21(20)22/h7-8,20-22H,3-6,9-19H2,(H,27,30)(H,28,33)/t20-,21+,22? |
| InChI Key | ZZRUYTQNTVMKLG-CBQGHPETSA-N |
| Purity | 98% |
| Appearance | Oil |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 857 |
| Exact Mass | 519.25806515 |
| Isomeric SMILES | C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)CCC#C1 |
| Monoisotopic Mass | 519.25806515 |
| Topological Polar Surface Area | 133Ų |
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