(S)-selisistat

Properties Image MNX_ID MNXM174224 reference chebi:90371 formula C13H13ClN2O global charge 0 mol weight 248.713 InChIKey FUZYTVDVLBBXDL-VIFPVBQESA-N InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1 SMILES NC(=O)[C@H]1CCCC2=C1NC1=C2C=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][C:8]2=[C:12]([C@@H:9]([C:13](=[NH:15])[OH:17])[CH2:3]1)[NH:16][C:11]1=[CH:5][CH:4]=[C:7]([Cl:14])[CH:6]=[C:10]21

Parent-child relations graph

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