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(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

Occurences in reactions

MNX_ID

MNXM128542

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

formula

C₄₆H₅₀N₄O₈

charge

mass

786.36286

reference

chebi:139427

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/c1ccc(O)cc1)NCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:139427 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]
hmdb:HMDB0039963	N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine (2E)-3-(4-hydroxyphenyl)-N-{3-[(2E)-3-(4-hydroxyphenyl)-N-{4-[(2E)-3-(4-hydroxyphenyl)-N-{3-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}prop-2-enamido]butyl}prop-2-enamido]propyl}prop-2-enamide (2E)-N-{3-[(2E)-N-{4-[(2E)-N-(3-{[(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}propyl)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidate
hmdb:HMDB39963	secondary/obsolete/fantasy identifier