Molecule Info: JDTic
Smiles:
Oc1ccc2c(c1)C[NH2+][C@H](C2)C(=O)N[C@@H](C(C)C)C[N@@H+]1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O
Netcharge:
2
InChIKey:
ZLVXBBHTMQJRSX-FJEUPZLDNA-P
InChI:
1/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/p+2/t19-,25+,26+,28+/m0/s1/fC28H41N3O3/h29-31H/q+2
InChIcol:
1
More information (from its Standard Form):
JDTic
Complex structures in which this molecule appears :
Complex Structure ID: 57
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
