Molecule Info: Aquanil
Smiles:
O[C@@H](C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1
Netcharge:
1
InChIKey:
BLJRIMJGRPQVNF-UBXXKIEDNA-O
InChI:
1/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1/fC13H25N4O3S/h14H/q+1
InChIcol:
1
More information (from its Standard Form):
Aquanil
Complex structures in which this molecule appears :
Complex Structure ID: 79
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
