(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171753 reference chebi:100000 formula C22H26N2O3 global charge 0 mol weight 366.461 InChIKey FOQJOAXBJHEYGA-URVUXULASA-N InChI InChI=1S/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20+,22+/m1/s1 SMILES COCC(=O)N1[C@H](C#N)[C@H](C2=CC=C(C#CCC3CCCC3)C=C2)[C@@H]1CO MNX internals InChI (mnx) InChI=1/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20+,22+/m1/s1 SMILES (mnx) [CH3:1][O:27][CH2:15][C:21]([N:24]1[C@H:19]([C:13]#[N:23])[C@H:22]([C:18]2=[CH:12][CH:10]=[C:17]([C:8]#[C:4][CH2:7][CH:16]3[CH2:5][CH2:2][CH2:3][CH2:6]3)[CH:9]=[CH:11]2)[C@@H:20]1[CH2:14][OH:25])=[O:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0