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CHEBI:100084 - N-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide

ChEBI IDCHEBI:100084
ChEBI NameN-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
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DownloadsMolfile
FormulaC23H36FN3O5
Net Charge0
Average Mass453.555
Monoisotopic Mass453.26390
SMILESCO[C@@H](CN(C)C(=O)C1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO
InChIInChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17-,21-/m0/s1
InChIKeyOIIKGOKDOCINHJ-FIKGOQFSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide (CHEBI:100084) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-11463LINCS