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CHEBI:116442 - (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester

ChEBI IDCHEBI:116442
ChEBI Name(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester
Stars
Last Modified12 March 2018
DownloadsMolfile
FormulaC24H23N3O4S
Net Charge0
Average Mass449.532
Monoisotopic Mass449.14093
SMILESCc1cccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C(C)C)c1
InChIInChI=1S/C24H23N3O4S/c1-14(2)21(26-22(29)16-8-6-7-15(3)11-16)23(30)31-13-17-12-20(28)27-18-9-4-5-10-19(18)32-24(27)25-17/h4-12,14,21H,13H2,1-3H3,(H,26,29)/t21-/m0/s1
InChIKeySQMFWJMPYREEDQ-NRFANRHFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester (CHEBI:116442) is a secondary carboxamide (CHEBI:140325)
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