JF669-HaloTag

Type : HaloTag-ligand, Azetidin, Benzosilin

Chemical_Nomenclature : 2-[3-(azetidin-1-ium-1-ylidene)-7-(azetidin-1-yl)-5,5-dimethyl-benzo[b][1]benzosilin-10-yl]-3,5,6-tris(fluoranyl)-4-[2-(2-hexoxyethoxy)ethylcarbamoyl]benzoic acid

Canonical SMILES : CCCCCCOCCOCCNC(=O)c1c(c(c(c(c1F)F)C(=O)O)C2=C3C=CC(=[N+]4CCC4)C=C3[Si](c5c2ccc(c5)N6CCC6)(C)C)F

InChI : InChI=1S\/C39H46F3N3O5Si\/c1-4-5-6-7-19-49-21-22-50-20-14-43-38(46)34-35(40)32(33(39(47)48)36(41)37(34)42)31-27-12-10-25(44-15-8-16-44)23-29(27)51(2,3)30-24-26(11-13-28(30)31)45-17-9-18-45\/h10-13,23-24H,4-9,14-22H2,1-3H3,(H-,43,46,47,48)\/p+1

InChIKey : ZQPHKFANJCSITK-UHFFFAOYSA-O

Other name(s) : XSR  ||  1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium

MW : 722.888

Formula : C39H47F3N3O5Si\

CAS_number :

PubChem :

UniChem : ZQPHKFANJCSITK-UHFFFAOYSA-O

Structure :
8SW8