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CHEBI:124846 - 1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:124846
ChEBI Name1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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DownloadsMolfile
FormulaC28H36F3N5O5
Net Charge0
Average Mass579.620
Monoisotopic Mass579.26685
SMILESCC(C)NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-23-17(3)13-36(18(4)15-37)25(38)21-7-6-8-22(24(21)41-23)34-26(39)33-20-11-9-19(10-12-20)28(29,30)31/h6-12,16-18,23,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18-,23+/m0/s1
InChIKeyOKJNHRXFXKLGLC-IUKKYPGJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:124846) is a ureas (CHEBI:47857)
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