Bederocin (USAN/INN)

Properties Image MNX_ID MNXM43388 reference keggD:D09324 formula C20H21BrFN3OS global charge 0 mol weight 450.377 InChIKey BGJMKHPWCFXMOW-UHFFFAOYSA-N InChI InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26) SMILES C=C(F)C1=C(Br)C(C)=C(CNCCCNC2=CC(=O)C3=CC=CC=C3N2)S1 MNX internals InChI (mnx) InChI=1/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26) SMILES (mnx) [CH3:1][C:12]1=[C:17]([CH2:11][NH:23][CH2:8][CH2:5][CH2:9][N:24]=[C:18]2[CH:10]=[C:16]([OH:26])[C:14]3=[CH:6][CH:3]=[CH:4][CH:7]=[C:15]3[NH:25]2)[S:27][C:20]([C:13](=[CH2:2])[F:22])=[C:19]1[Br:21]

Parent-child relations graph

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