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CHEBI:123791 - 1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:123791
ChEBI Name1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-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)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C29H34FN5O4/c1-19-15-35(20(2)18-36)28(37)25-14-24(33-29(38)32-23-6-4-22(30)5-7-23)8-9-26(25)39-27(19)17-34(3)16-21-10-12-31-13-11-21/h4-14,19-20,27,36H,15-18H2,1-3H3,(H2,32,33,38)/t19-,20-,27+/m1/s1
InChIKeyKYCDDKXJGAYPPP-DVHCVUMVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:123791) is a ureas (CHEBI:47857)
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