EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114540 - 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:114540
ChEBI Name2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester
Stars
DownloadsMolfile
FormulaC17H21N5O3S
Net Charge0
Average Mass375.454
Monoisotopic Mass375.13651
SMILESCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C17H21N5O3S/c1-25-16(24)13-9-5-6-10-14(13)18-15(23)11-26-17-19-20-21-22(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,23)
InChIKeyCJHKMXYUYCYVEF-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)
2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:114540) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-26001LINCS