(Q27076184)

CHEMBL102168 (English)

3 October 2016

chemical formula

C₂₇H₂₇F₂O₅S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C1=C(C(=CC(=C1)SC2=CC=C(C=C2)F)C3=CC=C(C=C3)F)OCC(CC(CC(=O)[O-])O)O

1 reference

CHEMBL102168 (English)

3 October 2016

isomeric SMILES

CC(C)C1=C(C(=CC(=C1)SC2=CC=C(C=C2)F)C3=CC=C(C=C3)F)OCC(C[C@H](CC(=O)[O-])O)O

1 reference

CHEMBL102168 (English)

InChI=1S/C27H28F2O5S/c1-16(2)24-13-23(35-22-9-7-19(29)8-10-22)14-25(17-3-5-18(28)6-4-17)27(24)34-15-21(31)11-20(30)12-26(32)33/h3-10,13-14,16,20-21,30-31H,11-12,15H2,1-2H3,(H,32,33)/p-1/t20-,21?/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL102168 (English)

UFSXOKMGOHBXIH-VQCQRNETSA-M

3 October 2016

InChIKey

1 reference

CHEMBL102168 (English)

3 October 2016

1 reference

(5xi)-2,4-Dideoxy-6-O-{4'-fluoro-5-[(4-fluorophenyl)sulfanyl]-3-isopropyl-2-biphenylyl}-D-glycero-hexonic acid (English)

3 October 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

CHEMBL102168 (English)

3 October 2016

1 reference

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

3015

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3015

compound 11jj [PMID: 1656041] (English)