EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47108 - 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID

Default Structure
ChEBI IDCHEBI:47108
ChEBI Name3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID
Stars
DownloadsMolfile
FormulaC36H37IN2O4
Net Charge0
Average Mass688.606
Monoisotopic Mass688.17981
SMILES[H]OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])c1c(C(=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c2c([H])c(OC([H])([H])c3nc4c([H])c([H])c([H])c([H])c4c([H])c3[H])c([H])c([H])c2n1C([H])([H])c1c([H])c([H])c(I)c([H])c1[H]
InChIInChI=1S/C36H37IN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42)
InChIKeyVRDARPDCOSVXDY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID (CHEBI:47108) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acidPDBeChem
3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACIDPDBeChem
Manual XrefsDatabases
3CSPDBeChem