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CHEBI:114412 - 4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoic acid

ChEBI IDCHEBI:114412
ChEBI Name4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoic acid
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FormulaC18H19NO5S
Net Charge0
Average Mass361.419
Monoisotopic Mass361.09839
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CCC(=O)O)s1
InChIInChI=1S/C18H19NO5S/c1-3-13-10-14(17(23)11-4-6-12(24-2)7-5-11)18(25-13)19-15(20)8-9-16(21)22/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNBNGRSKDTGQTBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoic acid (CHEBI:114412) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-25872LINCS