Molecule Info: ICI-118551
Smiles:
O[C@@H]([C@@H]([NH2+]C(C)C)C)COc1ccc(c2c1CCC2)C
Netcharge:
1
InChIKey:
VFIDUCMKNJIJTO-WFWDOTHJNA-O
InChI:
1/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/p+1/t13-,16+/m0/s1/fC17H28NO2/h18H/q+1
InChIcol:
1
More information (from its Standard Form):
ICI-118551
Complex structures in which this molecule appears :
Complex Structure ID: 121
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
