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CHEBI:93596 - 1-[2-[[[4-(dimethylamino)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:93596
ChEBI Name1-[2-[[[4-(dimethylamino)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC21H32N4O4
Net Charge0
Average Mass404.511
Monoisotopic Mass404.24236
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C21H32N4O4/c1-6-29-18(26)15-11-13-25(14-12-15)19(27)21(2,3)23-20(28)22-16-7-9-17(10-8-16)24(4)5/h7-10,15H,6,11-14H2,1-5H3,(H2,22,23,28)
InChIKeyUHRURSJIJOASOW-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-[[[4-(dimethylamino)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:93596) is a N-acyl-amino acid (CHEBI:51569)
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