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CHEBI:124596 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:124596
ChEBI Name1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC24H29F3N4O4
Net Charge0
Average Mass494.514
Monoisotopic Mass494.21409
SMILESCNC[C@H]1Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C24H29F3N4O4/c1-14-12-31(15(2)13-32)22(33)19-10-18(8-9-20(19)35-21(14)11-28-3)30-23(34)29-17-6-4-16(5-7-17)24(25,26)27/h4-10,14-15,21,28,32H,11-13H2,1-3H3,(H2,29,30,34)/t14-,15-,21-/m1/s1
InChIKeyKCNSNDYEXGJQPQ-VTJXTGGHSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:124596) is a ureas (CHEBI:47857)
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