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CHEBI:123746 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

ChEBI IDCHEBI:123746
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
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DownloadsMolfile
FormulaC30H36F3N5O5
Net Charge0
Average Mass603.642
Monoisotopic Mass603.26685
SMILESCc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@@H](C)CO)C2=O
InChIInChI=1S/C30H36F3N5O5/c1-17-13-38(18(2)16-39)28(40)23-7-6-8-24(34-29(41)35-26-19(3)36-43-20(26)4)27(23)42-25(17)15-37(5)14-21-9-11-22(12-10-21)30(31,32)33/h6-12,17-18,25,39H,13-16H2,1-5H3,(H2,34,35,41)/t17-,18+,25-/m1/s1
InChIKeyRQWZPZKMXFSKNS-FUMQJTLXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:123746) is a (trifluoromethyl)benzenes (CHEBI:83565)
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