EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83845 - pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate

ChEBI IDCHEBI:83845
ChEBI Namepent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate
Stars
DefinitionA carboxylic ester obtained by formal condensation of the carboxy group of 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoic acid with the hydroxy group of pent-4-en-1-ol.
Last Modified21 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H23N3O4
Net Charge0
Average Mass345.399
Monoisotopic Mass345.16886
SMILESC=CCCCOC(=O)C(CC)N(Cc1ccco1)C(=O)n1ccnc1
InChIInChI=1S/C18H23N3O4/c1-3-5-6-11-25-17(22)16(4-2)21(13-15-8-7-12-24-15)18(23)20-10-9-19-14-20/h3,7-10,12,14,16H,1,4-6,11,13H2,2H3
InChIKeyWBTYBAGIHOISOQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate (CHEBI:83845) is a N-acylimidazole (CHEBI:38308)
pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate (CHEBI:83845) is a carboxylic ester (CHEBI:33308)
pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate (CHEBI:83845) is a furans (CHEBI:24129)
pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate (CHEBI:83845) is a olefinic compound (CHEBI:78840)
Incoming Relation(s)
(R)-pefurazoate (CHEBI:83847) is a pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate (CHEBI:83845)
(S)-pefurazoate (CHEBI:83846) is a pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate (CHEBI:83845)
IUPAC Name 
pent-4-en-1-yl 2-[(2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino]butanoate