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

Properties Image MNX_ID MNXM171779 reference chebi:102519 formula C21H22FN3O2 global charge 0 mol weight 367.424 InChIKey NYKFFZXKZNVNOG-AQNXPRMDSA-N InChI InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20+/m1/s1 SMILES CCCNC(=O)N1[C@H](C#N)[C@H](C2=CC=C(C3=CC=CC=C3F)C=C2)[C@H]1CO MNX internals InChI (mnx) InChI=1/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:11][N:24]=[C:21]([N:25]1[C@H:18]([C:12]#[N:23])[C@H:20]([C:15]2=[CH:10][CH:8]=[C:14]([C:16]3=[CH:5][CH:3]=[CH:4][CH:6]=[C:17]3[F:22])[CH:7]=[CH:9]2)[C@H:19]1[CH2:13][OH:26])[OH:27]

Parent-child relations graph

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