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CHEBI:113005 - 2-(2-chloroanilino)-4-oxo-4-phenylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester

ChEBI IDCHEBI:113005
ChEBI Name2-(2-chloroanilino)-4-oxo-4-phenylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester
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FormulaC22H18ClNO4S
Net Charge0
Average Mass427.909
Monoisotopic Mass427.06451
SMILESO=C(CC(Nc1ccccc1Cl)C(=O)OCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C22H18ClNO4S/c23-16-9-4-5-10-17(16)24-18(13-19(25)15-7-2-1-3-8-15)22(27)28-14-20(26)21-11-6-12-29-21/h1-12,18,24H,13-14H2
InChIKeyXUEJLVAMACFDKR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-chloroanilino)-4-oxo-4-phenylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester (CHEBI:113005) is a α-amino acid ester (CHEBI:46874)
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LSM-24415LINCS