Molecule Info: IT1t
Smiles:
CC1(C)[NH+]=c2n(C1)c(cs2)CS/C(=[NH+]\C1CCCCC1)/NC1CCCCC1

Netcharge:
2

InChIKey:
OOSUDWRRWZVFEB-WJTQMNITNA-P

InChI:
1/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)/p+2/fC21H36N4S2/h22-24H/q+2

InChIcol:
1

+info (from its Standard Form):
IT1t

Complex structures in which this molecule appears :
Complex Structure ID: 100 Complex Structure ID: 101

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: