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CHEBI:128533 - 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:128533
ChEBI Name1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC32H37F3N4O5
Net Charge0
Average Mass614.665
Monoisotopic Mass614.27160
SMILESCOc1ccc(CN(C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C32H37F3N4O5/c1-20-16-39(21(2)19-40)30(41)26-6-5-7-27(37-31(42)36-24-12-10-23(11-13-24)32(33,34)35)29(26)44-28(20)18-38(3)17-22-8-14-25(43-4)15-9-22/h5-15,20-21,28,40H,16-19H2,1-4H3,(H2,36,37,42)/t20-,21-,28+/m0/s1
InChIKeyFGZYRMRERWZGKV-YHGPEZAFSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:128533) is a ureas (CHEBI:47857)
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