Molecule Info: 8-[(1r)-2-{[1,1-Dimethyl-2-(2-Methylphenyl)ethyl]amino}-1-Hydroxyethyl]-5-Hydroxy-2h-1,4-Benzoxazin-3(4h)-One
Smiles:
O=C1COc2c(N1)c(O)ccc2[C@H](C[NH2+]C(Cc1ccccc1C)(C)C)O

Netcharge:
1

InChIKey:
NWQXBEWHTDRJIP-YSTPDPRTNA-O

InChI:
1/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)/p+1/t17-/m0/s1/fC21H27N2O4/h22-23H/q+1

InChIcol:
1

+info (from its Standard Form):
8-[(1r)-2-{[1,1-Dimethyl-2-(2-Methylphenyl)ethyl]amino}-1-Hydroxyethyl]-5-Hydroxy-2h-1,4-Benzoxazin-3(4h)-One

Complex structures in which this molecule appears :
Complex Structure ID: 119

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: