compound 0047398

Properties Image MNX_ID MNXM1173560 reference envipathM:...f4c1604bd344 formula C16H15F6N5O2 global charge 0 mol weight 423.317 InChIKey VCTWXJMKZRKRCQ-SECBINFHSA-N InChI InChI=1S/C16H15F6N5O2/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(29)27(1-2-28)7-13-24-15(26-25-13)16(20,21)22/h2,4,6,9H,1,3,5,7,23H2,(H,24,25,26)/t9-/m1/s1 SMILES N[C@@H](CC(=O)N(CC=O)CC1=NN=C(C(F)(F)F)N1)CC1=C(F)C=C(F)C(F)=C1 MNX internals InChI (mnx) InChI=1/C16H15F6N5O2/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(29)27(1-2-28)7-13-24-15(26-25-13)16(20,21)22/h2,4,6,9H,1,3,5,7,23H2,(H,24,25,26)/t9-/m1/s1 SMILES (mnx) [CH2:1]([CH:2]=[O:28])[N:27]([CH2:7][C:13]1=[N:24][C:15]([C:16]([F:20])([F:21])[F:22])=[N:26][NH:25]1)[C:14]([CH2:5][C@@H:9]([CH2:3][C:8]1=[CH:4][C:11]([F:18])=[C:12]([F:19])[CH:6]=[C:10]1[F:17])[NH2:23])=[O:29]

Parent-child relations graph

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