EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105514 - 4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester

ChEBI IDCHEBI:105514
ChEBI Name4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC18H22N2O4S2
Net Charge0
Average Mass394.518
Monoisotopic Mass394.10210
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)CSCc1c(C)noc1C
InChIInChI=1S/C18H22N2O4S2/c1-4-23-18(22)16-14(12-5-6-12)8-26-17(16)19-15(21)9-25-7-13-10(2)20-24-11(13)3/h8,12H,4-7,9H2,1-3H3,(H,19,21)
InChIKeyMHTRURIKBXQYST-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-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:105514) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-16877LINCS