TMR-S4
General
Type : HaloTag-ligand, Sulfur Compound, Sulfonamide, Xanthene
Chemical_Nomenclature : [9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]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)NCCOCCOCCCCNS(=O)(=O)C
InChI : InChI=1S\/C34H42N4O8S\/c1-37(2)24-9-12-27-30(21-24)46-31-22-25(38(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(40)41)33(39)35-15-17-45-19-18-44-16-7-6-14-36-47(5,42)43\/h8-13,20-22,36H,6-7,14-19H2,1-5H3,(H-,35,39,40,41)\/p+1
InChIKey : DSUCSFUEKBFNJW-UHFFFAOYSA-O
Other name(s) : IYU || [9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
MW : 667.79
Formula : C34H43N4O8S
CAS_number :
PubChem : 167714240
UniChem : DSUCSFUEKBFNJW-UHFFFAOYSA-O
Target
Families : TMR-S4 ligand of proteins in family
Haloalkane_dehalogenase-HLD2
Structure :
7ZIX
Protein :
rhoso-halo1
References
No reference