compound 11dd [PMID: 1656041] (Q27076179)

CHEMBL317142 (English)

3 October 2016

chemical formula

C₃₂H₃₁F₂O₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C1=C(C(=CC2=CC=CC=C21)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OCC(CC(CC(=O)[O-])O)O

1 reference

CHEMBL317142 (English)

3 October 2016

isomeric SMILES

CC(C)C1=C(C(=CC2=CC=CC=C21)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OCC(C[C@H](CC(=O)[O-])O)O

1 reference

CHEMBL317142 (English)

InChI=1S/C32H32F2O5/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38)/p-1/t25-,26?/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL317142 (English)

KMUHRPGZKRKKCZ-DCWQJPKNSA-M

3 October 2016

InChIKey

1 reference

CHEMBL317142 (English)

3 October 2016

1 reference

(5xi)-6-O-{3-[Bis(4-fluorophenyl)methyl]-1-isopropyl-2-naphthyl}-2,4-dideoxy-D-glycero-hexonic acid (English)

3 October 2016

2 references

CHEMBL317142 (English)

matched by identifier from

3 October 2016

InChIKey

KMUHRPGZKRKKCZ-DCWQJPKNSA-M

ChEMBL ID

CHEMBL317142

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

3017

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3017

compound 11dd [PMID: 1656041] (English)