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CHEBI:92990 - 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester

ChEBI IDCHEBI:92990
ChEBI Name2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
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DownloadsMolfile
FormulaC18H20ClF3N2O4
Net Charge0
Average Mass420.815
Monoisotopic Mass420.10637
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H20ClF3N2O4/c19-13-7-6-12(18(20,21)22)8-14(13)24-15(25)10-28-16(26)9-23-17(27)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,23,27)(H,24,25)
InChIKeyLRLDKODMPCJKST-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester (CHEBI:92990) is a depsipeptide (CHEBI:23643)
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