Molecule Info: ONO9780307
Smiles:
COC(=O)c1cn(cc1CC(=O)[O-])C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C)O)CC1Cc2c(C1)cccc2
Netcharge:
-1
InChIKey:
PMPFDANPLYTSTM-ALUFIWJMNA-M
InChI:
1/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/p-1/t24-,29+/m0/s1/fC30H34NO7/q-1
InChIcol:
1
More information (from its Standard Form):
ONO9780307
Complex structures in which this molecule appears :
Complex Structure ID: 184
References in which this molecule is mentioned:
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.
Image of the Specific State
