EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112833 - 2-[2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester

ChEBI IDCHEBI:112833
ChEBI Name2-[2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
Stars
DownloadsMolfile
FormulaC18H20N6O3S2
Net Charge0
Average Mass432.531
Monoisotopic Mass432.10383
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)n1
InChIInChI=1S/C18H20N6O3S2/c1-4-27-16(26)8-13-9-28-17(19-13)20-15(25)10-29-18-21-22-23-24(18)14-6-5-11(2)7-12(14)3/h5-7,9H,4,8,10H2,1-3H3,(H,19,20,25)
InChIKeyGZVMDVGWBCXIBT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester (CHEBI:112833) is a tetrazoles (CHEBI:35689)
Manual XrefsDatabases
LSM-24243LINCS