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CHEBI:91982 - 2-acetamido-3-(1H-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester

ChEBI IDCHEBI:91982
ChEBI Name2-acetamido-3-(1H-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester
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DownloadsMolfile
FormulaC22H18F6N2O3
Net Charge0
Average Mass472.385
Monoisotopic Mass472.12216
SMILESCC(=O)NC(Cc1cnc2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)
InChIKeyBYYQYXVAWXAYQC-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)
2-acetamido-3-(1H-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester (CHEBI:91982) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
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