(2S,3R,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171452 reference chebi:95366 formula C17H20N2O3S global charge 0 mol weight 332.425 InChIKey COUPNDMEVDHIHS-BRWVUGGUSA-N InChI InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16-,17-/m1/s1 SMILES CCCC#CC1=CC=C([C@@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@@H]2CO)C=C1 MNX internals InChI (mnx) InChI=1/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16-,17-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][C:5]#[C:6][C:13]1=[CH:8][CH:10]=[C:14]([C@@H:17]2[C@@H:15]([C:11]#[N:18])[N:19]([S:23]([CH3:2])(=[O:21])=[O:22])[C@@H:16]2[CH2:12][OH:20])[CH:9]=[CH:7]1

Parent-child relations graph

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