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DBCO-biotin
| Catalog | CCR1418217954 |
| CAS | 1418217-95-4 |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]pentanamide |
| Molecular Weight | 502.6 |
| Molecular Formula | C28H30N4O3S |
| Canonical SMILES | C1C2C(C(S1)CCCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2 |
| InChI | InChI=1S/C28H30N4O3S/c33-25(12-6-5-11-24-27-22(18-36-24)30-28(35)31-27)29-16-15-26(34)32-17-21-9-2-1-7-19(21)13-14-20-8-3-4-10-23(20)32/h1-4,7-10,22,24,27H,5-6,11-12,15-18H2,(H,29,33)(H2,30,31,35)/t22-,24-,27-/m0/s1 |
| InChI Key | ODZDNKWGVJPVBP-DPPGTGKWSA-N |
| Purity | 99%+ |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 898 |
| Exact Mass | 502.20386201 |
| Isomeric SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2 |
| Monoisotopic Mass | 502.20386201 |
| Topological Polar Surface Area | 116Ų |
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