(2R,3S,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide

Properties Image MNX_ID MNXM170865 reference chebi:103000 formula C25H29N3O3 global charge 0 mol weight 419.525 InChIKey UEJLJRRJJUOYFY-HJOGWXRNSA-N InChI InChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24-/m0/s1 SMILES COC1=CC=C(C2=CC=C([C@H]3[C@H](C#N)N(C(=O)NC4CCCCC4)[C@H]3CO)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24-/m0/s1 SMILES (mnx) [CH3:1][O:31][C:21]1=[CH:14][CH:12]=[C:18]([C:17]2=[CH:8][CH:10]=[C:19]([C@H:24]3[C@H:22]([C:15]#[N:26])[N:28]([C:25](=[N:27][CH:20]4[CH2:5][CH2:3][CH2:2][CH2:4][CH2:6]4)[OH:30])[C@H:23]3[CH2:16][OH:29])[CH:9]=[CH:7]2)[CH:11]=[CH:13]1

Parent-child relations graph

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