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BP fluor 546 DBCO
| Catalog Number | CCR238 |
| IUPAC Name | 4-[2-[[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-2-oxoethyl]sulfanyl-2,3,5-trichloro-6-(7,7,9,17,19,19-hexamethyl-4,22-disulfo-2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl)benzoic acid |
| Molecular Weight | 1106.5 |
| Molecular Formula | C52H47Cl3N4O11S3 |
| Canonical SMILES | CC1CC(NC2=C(C3=C(C=C12)C(=C4C=C5C(CC(N=C5C(=C4O3)S(=O)(=O)O)(C)C)C)C6=C(C(=C(C(=C6Cl)SCC(=O)NCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)Cl)Cl)C(=O)O)S(=O)(=O)O)(C)C |
| InChI | InChI=1S/C52H47Cl3N4O11S3/c1-25-21-51(3,4)57-43-30(25)19-32-37(33-20-31-26(2)22-52(5,6)58-44(31)49(73(67,68)69)46(33)70-45(32)48(43)72(64,65)66)38-39(50(62)63)40(53)42(55)47(41(38)54)71-24-35(60)56-18-17-36(61)59-23-29-13-8-7-11-27(29)15-16-28-12-9-10-14-34(28)59/h7-14,19-20,25-26,57H,17-18,21-24H2,1-6H3,(H,56,60)(H,62,63)(H,64,65,66)(H,67,68,69) |
| InChI Key | JVEBSIZOSZJGCF-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Storage | -20 °C |
| Complexity | 2690 |
| Exact Mass | 1104.146905 |
| Monoisotopic Mass | 1104.146905 |
| Topological Polar Surface Area | 271Ų |
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