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CHEBI:139427 - (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]

ChEBI IDCHEBI:139427
ChEBI Name(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]
Stars
ASCII Name(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]
Last Modified15 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC46H50N4O8
Net Charge0
Average Mass786.926
Monoisotopic Mass786.36286
SMILES[H]N(CCCN(CCCCN(CCCN([H])C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1
InChIInChI=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+
InChIKeyKKJYIHSXTUGJLP-BRJCPHQQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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] (CHEBI:139427) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
7986696ChemSpider
HMDB0039963HMDB