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CHEBI:141738 - N1,N3-bis[2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl]-2-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]malonamide

ChEBI IDCHEBI:141738
ChEBI NameN1,N3-bis[2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl]-2-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]malonamide
Stars
ASCII NameN(1),N(3)-bis[2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl]-2-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]malonamide
DefinitionA dendrimer macromolecule consisting of a malonamide core, each N of which carries a 2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl branch and with a 2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl substituent at C-2.
Last Modified22 August 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC32H62N12O9
Net Charge0
Average Mass758.923
Monoisotopic Mass758.47627
SMILESC#CCOCCOCCOCCC(C(=O)NCCN(CC(=O)NCCN)CC(=O)NCCN)C(=O)NCCN(CC(=O)NCCN)CC(=O)NCCN
InChIInChI=1S/C32H62N12O9/c1-2-16-51-18-20-53-21-19-52-17-3-26(31(49)41-12-14-43(22-27(45)37-8-4-33)23-28(46)38-9-5-34)32(50)42-13-15-44(24-29(47)39-10-6-35)25-30(48)40-11-7-36/h1,26H,3-25,33-36H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,41,49)(H,42,50)
InChIKeyVNXYBYLNVQNJMZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N1,N3-bis[2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl]-2-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]malonamide (CHEBI:141738) is a dendrimer macromolecule (CHEBI:51338)
IUPAC Name 
N1,N15-bis(2-aminoethyl)-3,13-bis{2-[(2-aminoethyl)amino]-2-oxoethyl}-7,9-dioxo-8-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]-3,6,10,13-tetraazapentadecane-1,15-diamide
Synonym  Source
N,N'-bis(2-aminoethyl)-3,13-bis{2-[(2-aminoethyl)amino]-2-oxoethyl}-7,9-dioxo-8-[2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl]-3,6,10,13-tetraazapentadecane-1,15-diamideIUPAC
Citations