(2E,2'E)-N,N'-(butane-1,4-diyl)bis[3-(4-hydroxyphenyl)-N-(3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide]

Properties Image MNX_ID MNXM128542 reference chebi:139427 formula C46H50N4O8 global charge 0 mol weight 786.926 InChIKey KKJYIHSXTUGJLP-BRJCPHQQSA-N InChI InChI=1S/C46H50N4O8/c51-39-17-5-35(6-18-39)13-25-43(55)47-29-3-33-49(45(57)27-15-37-9-21-41(53)22-10-37)31-1-2-32-50(46(58)28-16-38-11-23-42(54)24-12-38)34-4-30-48-44(56)26-14-36-7-19-40(52)20-8-36/h5-28,51-54H,1-4,29-34H2,(H,47,55)(H,48,56)/b25-13+,26-14+,27-15+,28-16+ SMILES O=C(/C=C/C1=CC=C(O)C=C1)NCCCN(CCCCN(CCCNC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)/C=C/C1=CC=C(O)C=C1)C(=O)/C=C/C1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C46H50N4O8/c51-39-17-5-35(6-18-39)13-25-43(55)47-29-3-33-49(45(57)27-15-37-9-21-41(53)22-10-37)31-1-2-32-50(46(58)28-16-38-11-23-42(54)24-12-38)34-4-30-48-44(56)26-14-36-7-19-40(52)20-8-36/h5-28,51-54H,1-4,29-34H2,(H,47,55)(H,48,56)/b25-13+,26-14+,27-15+,28-16+ SMILES (mnx) [CH2:1]([CH2:2][CH2:32][N:50]([CH2:34][CH2:4][CH2:30]/[N:48]=[C:44](/[CH:26]=[CH:14]/[C:36]1=[CH:8][CH:20]=[C:40]([OH:52])[CH:19]=[CH:7]1)[OH:56])[C:46](/[CH:28]=[CH:16]/[C:38]1=[CH:12][CH:24]=[C:42]([OH:54])[CH:23]=[CH:11]1)=[O:58])[CH2:31][N:49]([CH2:33][CH2:3][CH2:29]/[N:47]=[C:43](/[CH:25]=[CH:13]/[C:35]1=[CH:6][CH:18]=[C:39]([OH:51])[CH:17]=[CH:5]1)[OH:55])[C:45](/[CH:27]=[CH:15]/[C:37]1=[CH:10][CH:22]=[C:41]([OH:53])[CH:21]=[CH:9]1)=[O:57]

Parent-child relations graph

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