Type : Benzamide, Pyrrolidine
Chemical_Nomenclature : 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-nitrobenzamide
Canonical SMILES : CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-]
InChI : InChI=1S\/C17H26N4O4\/c1-5-20-8-6-7-12(20)11-18-17(22)13-9-15(21(23)24)14(19(2)3)10-16(13)25-4\/h9-10,12H,5-8,11H2,1-4H3,(H,18,22)\/t12-\/m1\/s1
InChIKey : AFNPLUMDSLEAPD-GFCCVEGCSA-N
Other name(s) : 4-(dimethylamino)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-nitrobenzamide, AC1OKPVQ
MW : 350.41
Formula : C17H26N4O4
CAS_number :
PubChem : 7390465
UniChem : AFNPLUMDSLEAPD-GFCCVEGCSA-N
Families : C5685 ligand of proteins in family
ACHE
Protein :
mouse-ACHE
Title : Similar but different: thermodynamic and structural characterization of a pair of enantiomers binding to acetylcholinesterase - Berg_2012_Angew.Chem.Int.Ed.Engl_51_12716 |
Author(s) : Berg L , Niemiec MS , Qian W , Andersson CD , Wittung-Stafshede P , Ekstrom F , Linusson A |
Ref : Angew Chem Int Ed Engl , 51 :12716 , 2012 |
PubMedID: 23161758 |
Gene_locus related to this paper: mouse-ACHE |