CHEBI:108158 - 4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester

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ChEBI Name 4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:108158
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H25N3O4
Net Charge 0
Average Mass 371.431
Monoisotopic Mass 371.18451
InChI InChI=1S/C20H25N3O4/c1-3-13-6-5-7-15(12-13)22-17-16(18(24)19(17)25)21-14-8-10-23(11-9-14)20(26)27-4-2/h5-7,12,14,21-22H,3-4,8-11H2,1-2H3
InChIKey GCSSZOOHFWEMGE-UHFFFAOYSA-N
SMILES CCC1=CC(=CC=C1)NC2=C(C(=O)C2=O)NC3CCN(CC3)C(=O)OCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester (CHEBI:108158) is a carboxylic acid (CHEBI:33575)
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester (CHEBI:108158) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-19535 LINCS
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