Molecule Info: Carmoterol
Smiles:
COc1ccc(cc1)C[C@H]([NH2+]C[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)C
Netcharge:
1
InChIKey:
IHOXNOQMRZISPV-NYOXRPRYNA-O
InChI:
1/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/p+1/t13-,19+/m1/s1/fC21H25N2O4/h22-23H/q+1
InChIcol:
1
More information (from its Standard Form):
Carmoterol
Complex structures in which this molecule appears :
Complex Structure ID: 17 Complex Structure ID: 16
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
