Trecetilide

Properties Image MNX_ID MNXM113647 reference chebi:177812 formula C21H37FN2O3S global charge 0 mol weight 416.603 InChIKey RPQUKWBLAHJOPX-FQEVSTJZSA-N InChI InChI=1S/C21H37FN2O3S/c1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27/h11-14,20,23,25H,5-10,15-17H2,1-4H3/t20-/m0/s1 SMILES CCN(CCCCCC(C)(C)F)CCC[C@H](O)C1=CC=C(NS(C)(=O)=O)C=C1 MNX internals InChI (mnx) InChI=1/C21H37FN2O3S/c1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27/h11-14,20,23,25H,5-10,15-17H2,1-4H3/t20-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][N:24]([CH2:16][CH2:8][CH2:6][CH2:7][CH2:15][C:21]([CH3:2])([CH3:3])[F:22])[CH2:17][CH2:9][CH2:10][C@@H:20]([C:18]1=[CH:12][CH:14]=[C:19]([NH:23][S:28]([CH3:4])(=[O:26])=[O:27])[CH:13]=[CH:11]1)[OH:25]

Parent-child relations graph

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