Molecule Info: CGS-21680
Smiles:
CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)[O-])nc2N

Netcharge:
-1

InChIKey:
PAOANWZGLPPROA-OFODBNSWNA-M

InChI:
1/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/p-1/t16-,17+,18-,22+/m0/s1/fC23H28N7O6/h25-26H,24H2/q-1

InChIcol:
1

+info (from its Standard Form):
CGS-21680

Complex structures in which this molecule appears :
Complex Structure ID: 43

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: