Smiles:
COc1ccccc1OCC[NH2+]C[C@@H](COc1cccc2c1c1ccccc1[nH]2)O

Netcharge:
1

InChIKey:
OGHNVEJMJSYVRP-SFLRTDPUNA-O

InChI:

1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/p+1/t17-/m0/s1/fC24H27N2O4/h25H/q+1

InChIcol:
1

More information (from its Standard Form):

(S)-Carvedilol

Complex structures in which this molecule appears :

Complex Structure ID: 167 Complex Structure ID: 168

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.

Download the SDF file