Molecule Info: 4-[(2s)-3-(Tert-Butylamino)-2-Hydroxypropoxy]-7-Methyl-1h-Indole-2-Carbonitrile
Smiles:
N#Cc1[nH]c2c(c1)c(OC[C@H](C[NH2+]C(C)(C)C)O)ccc2C
Netcharge:
1
InChIKey:
NDCOGBYMSDLXAU-UVDHWUHXNA-O
InChI:
1/C17H23N3O2/c1-11-5-6-15(14-7-12(8-18)20-16(11)14)22-10-13(21)9-19-17(2,3)4/h5-7,13,19-21H,9-10H2,1-4H3/p+1/t13-/m0/s1/fC17H24N3O2/h19H/q+1
InChIcol:
1
More information (from its Standard Form):
4-[(2s)-3-(Tert-Butylamino)-2-Hydroxypropoxy]-7-Methyl-1h-Indole-2-Carbonitrile
Complex structures in which this molecule appears :
Complex Structure ID: 147 Complex Structure ID: 148
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
