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CHEBI:92620 - 1-[2-[[(3,4-difluoroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:92620
ChEBI Name1-[2-[[(3,4-difluoroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
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FormulaC19H25F2N3O4
Net Charge0
Average Mass397.422
Monoisotopic Mass397.18131
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H25F2N3O4/c1-4-28-16(25)12-7-9-24(10-8-12)17(26)19(2,3)23-18(27)22-13-5-6-14(20)15(21)11-13/h5-6,11-12H,4,7-10H2,1-3H3,(H2,22,23,27)
InChIKeyRWSQBRVYLVXJKW-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-[[(3,4-difluoroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:92620) is a N-acyl-amino acid (CHEBI:51569)
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