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CHEBI:95235 - 1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:95235
ChEBI Name1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
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FormulaC30H35FN4O4
Net Charge0
Average Mass534.632
Monoisotopic Mass534.26423
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C30H35FN4O4/c1-20-16-35(21(2)19-36)29(37)26-15-25(33-30(38)32-24-11-9-23(31)10-12-24)13-14-27(26)39-28(20)18-34(3)17-22-7-5-4-6-8-22/h4-15,20-21,28,36H,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28-/m0/s1
InChIKeyNHGRAHAVFNGAOG-GTNJKRJXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:95235) is a ureas (CHEBI:47857)
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