Molecule Info: W146
Smiles:
CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N
InChIKey:
FWJRVGZWNDOOFH-SPUSEKPUNA-N
InChI:
1/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1/f/h18,20-21H
InChIcol:
1
More information (from its Standard Form):
W146
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.