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CHEBI:92552 - 1-[2-[[[2-chloro-4-(trifluoromethyl)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:92552
ChEBI Name1-[2-[[[2-chloro-4-(trifluoromethyl)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC20H25ClF3N3O4
Net Charge0
Average Mass463.884
Monoisotopic Mass463.14857
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C20H25ClF3N3O4/c1-4-31-16(28)12-7-9-27(10-8-12)17(29)19(2,3)26-18(30)25-15-6-5-13(11-14(15)21)20(22,23)24/h5-6,11-12H,4,7-10H2,1-3H3,(H2,25,26,30)
InChIKeyFLLMXFQHYNUDRR-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)
1-[2-[[[2-chloro-4-(trifluoromethyl)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:92552) is a N-acyl-amino acid (CHEBI:51569)
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