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CHEBI:108832 - 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:108832
ChEBI Name1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC24H29F3N4O4
Net Charge0
Average Mass494.514
Monoisotopic Mass494.21409
SMILESCNC[C@H]1Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)18-5-4-6-19(21(18)35-20(14)11-28-3)30-23(34)29-17-9-7-16(8-10-17)24(25,26)27/h4-10,14-15,20,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15+,20-/m1/s1
InChIKeyKNPSDLIHJHZPLR-QEEYODRMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:108832) is a ureas (CHEBI:47857)
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