EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121707 - 5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester

ChEBI IDCHEBI:121707
ChEBI Name5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
Stars
DownloadsMolfile
FormulaC22H30N2O8S
Net Charge0
Average Mass482.555
Monoisotopic Mass482.17229
SMILESCCOC(=O)c1sc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(C(=O)OCC)c1C
InChIInChI=1S/C22H30N2O8S/c1-4-30-21(28)17-13(3)18(22(29)31-5-2)33-20(17)24-15(25)12-32-16(26)11-23-19(27)14-9-7-6-8-10-14/h14H,4-12H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyNFLAMWCWTZFAFU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester (CHEBI:121707) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-33150LINCS