(2S,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide

Properties Image MNX_ID MNXM171740 reference chebi:100744 formula C21H22FN3O2 global charge 0 mol weight 367.424 InChIKey GQNJFXBZXQABNJ-AABGKKOBSA-N InChI InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19+,20+/m1/s1 SMILES CC(C)NC(=O)N1[C@H](C#N)[C@H](C2=CC=C(C3=CC=C(F)C=C3)C=C2)[C@@H]1CO MNX internals InChI (mnx) InChI=1/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19+,20+/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[N:24]=[C:21]([N:25]1[C@H:18]([C:11]#[N:23])[C@H:20]([C:16]2=[CH:6][CH:4]=[C:14]([C:15]3=[CH:8][CH:10]=[C:17]([F:22])[CH:9]=[CH:7]3)[CH:3]=[CH:5]2)[C@@H:19]1[CH2:12][OH:26])[OH:27]

Parent-child relations graph

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