(2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM170627 reference chebi:102111 formula C21H23N3OS global charge 0 mol weight 365.502 InChIKey DBBLKINRPPNEJI-SLFFLAALSA-N InChI InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20+/m0/s1 SMILES CCC1=CN=C(N2[C@@H](C#N)[C@@H](C3=CC=C(C#CC(C)C)C=C3)[C@@H]2CO)S1 MNX internals InChI (mnx) InChI=1/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20+/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C:17]1=[CH:12][N:23]=[C:21]([N:24]2[C@@H:18]([C:11]#[N:22])[C@@H:20]([C:16]3=[CH:10][CH:8]=[C:15]([C:6]#[C:5][CH:14]([CH3:2])[CH3:3])[CH:7]=[CH:9]3)[C@@H:19]2[CH2:13][OH:25])[S:26]1

Parent-child relations graph

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