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CHEBI:40197 - (2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid

ChEBI IDCHEBI:40197
ChEBI Name(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
Stars
ASCII Name(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
Last Modified17 October 2009
DownloadsMolfile
FormulaC22H22F3NO5S
Net Charge0
Average Mass469.481
Monoisotopic Mass469.11708
SMILES[H]OC(=O)[C@@]1(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N(C(=O)c2c([H])c([H])c(C(F)(F)F)c([H])c2[H])[C@@]([H])(c2sc([H])c([H])c2[H])[C@@]([H])(C(=O)O[H])C1([H])[H]
InChIInChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1
InChIKeyZNCZVHCYBGHCHA-XPIZARPCSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid (CHEBI:40197) is a N-acylpyrrolidine (CHEBI:46766)
(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid (CHEBI:40197) is a dicarboxylic acid (CHEBI:35692)
(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid (CHEBI:40197) is a pyrrolidinedicarboxylic acid (CHEBI:46794)
(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid (CHEBI:40197) is a thiophenes (CHEBI:26961)
Synonyms  Source
(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACIDPDBeChem
(2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-yl-1-{[4-(trifluoromethyl)phenyl]carbonyl}pyrrolidine-2,4-dicarboxylic acidPDBeChem
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