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CHEBI:93402 - 1-[2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:93402
ChEBI Name1-[2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
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FormulaC20H28ClN3O5
Net Charge0
Average Mass425.913
Monoisotopic Mass425.17175
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C20H28ClN3O5/c1-5-29-17(25)13-8-10-24(11-9-13)18(26)20(2,3)23-19(27)22-14-6-7-16(28-4)15(21)12-14/h6-7,12-13H,5,8-11H2,1-4H3,(H2,22,23,27)
InChIKeyUPHKKUIXSHQDEA-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-chloro-4-methoxyanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:93402) is a N-acyl-amino acid (CHEBI:51569)
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