(Q27086772)

CHEMBL255088 (English)

3 October 2016

chemical formula

C₂₉H₃₉NO₃S

1 reference

CHEMBL255088 (English)

3 October 2016

canonical SMILES

CC(CCS(=N)(=O)C1=CC=CC=C1)C2=CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

1 reference

CHEMBL255088 (English)

3 October 2016

isomeric SMILES

C[C@H](CCS(=N)(=O)C1=CC=CC=C1)C2=CCC\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C

1 reference

CHEMBL255088 (English)

InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-13,20,24,27-28,30-32H,2,7-8,14-19H2,1,3H3/b22-11+,23-12-/t20-,24-,27?,28+,29-,34?/m1/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL255088 (English)

MVSUCZHCZRRVTM-RKGHGREQSA-N

3 October 2016

InChIKey

1 reference

CHEMBL255088 (English)

3 October 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

CHEMBL255088 (English)

3 October 2016

1 reference

8 February 2021

1 reference

Guide to Pharmacology Ligand ID

8858

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8858