(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171752 reference chebi:102583 formula C21H26N2O3S global charge 0 mol weight 386.517 InChIKey FMUUBOBUXMLTIS-HKBOAZHASA-N InChI InChI=1S/C21H26N2O3S/c1-2-27(25,26)23-19(14-22)21(20(23)15-24)18-12-10-17(11-13-18)9-5-8-16-6-3-4-7-16/h10-13,16,19-21,24H,2-4,6-8,15H2,1H3/t19-,20+,21+/m1/s1 SMILES CCS(=O)(=O)N1[C@H](C#N)[C@H](C2=CC=C(C#CCC3CCCC3)C=C2)[C@@H]1CO MNX internals InChI (mnx) InChI=1/C21H26N2O3S/c1-2-27(25,26)23-19(14-22)21(20(23)15-24)18-12-10-17(11-13-18)9-5-8-16-6-3-4-7-16/h10-13,16,19-21,24H,2-4,6-8,15H2,1H3/t19-,20+,21+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][S:27]([N:23]1[C@H:19]([C:14]#[N:22])[C@H:21]([C:18]2=[CH:13][CH:11]=[C:17]([C:9]#[C:5][CH2:8][CH:16]3[CH2:6][CH2:3][CH2:4][CH2:7]3)[CH:10]=[CH:12]2)[C@@H:20]1[CH2:15][OH:24])(=[O:25])=[O:26]

Parent-child relations graph

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