TMR-S5

Type : HaloTag-ligand,Sulfur Compound,Sulfonamide,Xanthene

Chemical_Nomenclature : [9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Canonical SMILES : CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCNS(=O)(=O)C

InChI : InChI=1S\/C35H44N4O8S\/c1-38(2)25-10-13-28-31(22-25)47-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)36-16-18-46-20-19-45-17-8-6-7-15-37-48(5,43)44\/h9-14,21-23,37H,6-8,15-20H2,1-5H3,(H-,36,40,41,42)\/p+1

InChIKey : AKUULRQTVFOLNZ-UHFFFAOYSA-O

Other name(s) : IYO

MW : 681.82

Formula : C35H45N4O8S

CAS_number :

PubChem : 166625061

UniChem : AKUULRQTVFOLNZ-UHFFFAOYSA-O

IUPHAR :

Wikipedia :

Families : TMR-S5 ligand of proteins in family: Haloalkane_dehalogenase-HLD2

Stucture : 7ZJ0 X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentylmethanesulfonamide tetramethylrhodamine ligand (TMR-S5)

Protein : rhoso-halo1