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CHEBI:108746 - 1-(4-fluorophenyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

ChEBI IDCHEBI:108746
ChEBI Name1-(4-fluorophenyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
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DownloadsMolfile
FormulaC29H34FN5O4
Net Charge0
Average Mass535.620
Monoisotopic Mass535.25948
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C29H34FN5O4/c1-19-15-35(20(2)18-36)28(37)24-5-4-6-25(33-29(38)32-23-9-7-22(30)8-10-23)27(24)39-26(19)17-34(3)16-21-11-13-31-14-12-21/h4-14,19-20,26,36H,15-18H2,1-3H3,(H2,32,33,38)/t19-,20+,26-/m1/s1
InChIKeyVBGZKSFWINXWAF-BVFVYWQFSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:108746) is a ureas (CHEBI:47857)
Manual XrefsDatabases
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