EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114570 - 4-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester

ChEBI IDCHEBI:114570
ChEBI Name4-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
Stars
DownloadsMolfile
FormulaC21H21N3O6
Net Charge0
Average Mass411.414
Monoisotopic Mass411.14304
SMILESCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1
InChIInChI=1S/C21H21N3O6/c1-29-21(28)14-4-6-15(7-5-14)24-18(25)13-16(19(24)26)22-8-10-23(11-9-22)20(27)17-3-2-12-30-17/h2-7,12,16H,8-11,13H2,1H3
InChIKeyPSNFIVWDVFPSSZ-UHFFFAOYSA-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)
4-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester (CHEBI:114570) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-26031LINCS