(2S,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171756 reference chebi:100343 formula C23H20N4O2 global charge 0 mol weight 384.439 InChIKey OPKRCVVELWLOIA-GIWBLDEGSA-N InChI InChI=1S/C23H20N4O2/c24-11-20-23(18-8-6-17(7-9-18)19-12-25-15-26-13-19)21(14-28)27(20)22(29)10-16-4-2-1-3-5-16/h1-9,12-13,15,20-21,23,28H,10,14H2/t20-,21+,23+/m1/s1 SMILES N#C[C@@H]1[C@H](C2=CC=C(C3=CN=CN=C3)C=C2)[C@H](CO)N1C(=O)CC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C23H20N4O2/c24-11-20-23(18-8-6-17(7-9-18)19-12-25-15-26-13-19)21(14-28)27(20)22(29)10-16-4-2-1-3-5-16/h1-9,12-13,15,20-21,23,28H,10,14H2/t20-,21+,23+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:16]([CH2:10][C:22]([N:27]2[C@H:20]([C:11]#[N:24])[C@H:23]([C:18]3=[CH:9][CH:7]=[C:17]([C:19]4=[CH:12][N:25]=[CH:15][N:26]=[CH:13]4)[CH:6]=[CH:8]3)[C@@H:21]2[CH2:14][OH:28])=[O:29])[CH:5]=[CH:3]1

Parent-child relations graph

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