N-octyl-N'-[(1-vinyl-1H-1,2,3-triazol-4-yl)methyl]pentanediamide-functionalised copovidone group

Properties Image MNX_ID MNXM158594 reference chebi:78925 formula C26H43N6O4*7 global charge 0 mol weight   InChIKey   InChI   SMILES [*]CC([*])N1CCCC1=O.[*]CC([*])O.[*]CCCCCCCCNC(=O)CCCC(=O)NCC1=CN(C([*])C[*])N=N1 MNX internals InChI (mnx) InChI=1/C21H39N5O2.C8H15NO.C4H10O/c1-4-6-7-8-9-10-11-15-22-20(27)13-12-14-21(28)23-16-19-17-26(25-24-19)18(3)5-2;1-3-7(2)9-6-4-5-8(9)10;1-3-4(2)5/h17-18H,4-16H2,1-3H3,(H,22,27)(H,23,28);7H,3-6H2,1-2H3;4-5H,3H2,1-2H3/t18?;7?;4?/i1+1,2+1,3+1;2*1+1,2+1 SMILES (mnx) [13CH3:1][CH2:4][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:15][N:22]=[C:20]([CH2:13][CH2:12][CH2:14][C:21](=[N:23][CH2:16][C:19]1=[CH:17][N:26]([CH:18]([13CH3:3])[CH2:5][13CH3:2])[N:25]=[N:24]1)[OH:28])[OH:27].[13CH3:29][CH2:31][CH:35]([13CH3:30])[N:37]1[CH2:34][CH2:32][CH2:33][C:36]1=[O:38].[13CH3:39][CH2:41][CH:42]([13CH3:40])[OH:43]

Parent-child relations graph

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