EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94331 - 3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

ChEBI IDCHEBI:94331
ChEBI Name3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Stars
DownloadsMolfile
FormulaC24H29N5O3
Net Charge0
Average Mass435.528
Monoisotopic Mass435.22704
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnnn2)cc1)C(C(=O)O)C(C)C
InChIInChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)
InChIKeyACWBQPMHZXGDFX-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)
3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid (CHEBI:94331) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-4977LINCS