Molecule Info: CHEMBL321570
Smiles:
CO[C@@]12C=C[C@@]34[C@@]5([C@@H]1[NH2+][C@H]([C@]2(C)C3)c1ccccc1)CC[N@@H+]([C@@H]4Cc1c5cc(O)cc1)C
Netcharge:
2
InChIKey:
RGJHUVJQGAAZLK-XZCYSXCCNA-P
InChI:
1/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/p+2/t22-,23+,24+,25+,26-,27+,28+/m1/s1/fC28H34N2O2/h29-30H/q+2
InChIcol:
1
More information (from its Standard Form):
CHEMBL321570
Complex structures in which this molecule appears :
Complex Structure ID: 170
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
