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UBQ-3 DBCO
| Catalog Number | CCR231 |
| IUPAC Name | 1-[[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-[4-[4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]-N-methylanilino]butanoylamino]-1-oxopropane-2-sulfonate |
| Molecular Weight | 957.2 |
| Molecular Formula | C55H56N8O6S |
| Canonical SMILES | CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(C)CCCC(=O)NCC(C(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)S(=O)(=O)[O-])N=C2C=C1)C8=CC=CC=C8 |
| InChI | InChI=1S/C54H53N9O6S/c1-4-61(5-2)45-28-30-47-50(35-45)63(44-17-7-6-8-18-44)49-34-42(25-29-46(49)57-47)59-58-41-23-26-43(27-24-41)60(3)33-13-20-52(64)56-36-51(70(67,68)69)54(66)55-32-31-53(65)62-37-40-16-10-9-14-38(40)21-22-39-15-11-12-19-48(39)62/h6-12,14-19,23-30,34-35,51H,4-5,13,20,31-33,36-37H2,1-3H3,(H2-,55,56,64,66,67,68,69) |
| InChI Key | GBWUVMRONCYAQS-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Storage | -20 °C |
| Complexity | 1920 |
| Exact Mass | 955.38395162 |
| Monoisotopic Mass | 955.38395162 |
| Topological Polar Surface Area | 192Ų |
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