EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138128 - 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid

ChEBI IDCHEBI:138128
ChEBI Name6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid
Stars
ASCII Name6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid
DefinitionA 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoic acid in which the chiral centre has S configuration.
Last Modified9 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H18N2O3
Net Charge0
Average Mass274.320
Monoisotopic Mass274.13174
SMILESCc1ccc(C(=O)O)c(C2=N[C@@](C)(C(C)C)C(=O)N2)c1
InChIInChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20)/t15-/m0/s1
InChIKeyKFEFNHNXZQYTEW-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138128) is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoic acid (CHEBI:138125)
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138128) is enantiomer of 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138127)
Incoming Relation(s)
methyl 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluate (CHEBI:138134) has functional parent 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138128)
rac-6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluic acid (CHEBI:138129) has part 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138128)
6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138127) is enantiomer of 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-p-toluic acid (CHEBI:138128)
IUPAC Name 
2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-4-methylbenzoic acid