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CHEBI:111802 - 1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:111802
ChEBI Name1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC26H33F3N4O4
Net Charge0
Average Mass522.568
Monoisotopic Mass522.24539
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(cccc2N(C)C)C1=O
InChIInChI=1S/C26H33F3N4O4/c1-16-13-33(17(2)15-34)24(35)20-7-6-8-21(31(3)4)23(20)37-22(16)14-32(5)25(36)30-19-11-9-18(10-12-19)26(27,28)29/h6-12,16-17,22,34H,13-15H2,1-5H3,(H,30,36)/t16-,17+,22+/m0/s1
InChIKeyUASMVRRVZNRGSL-GSHUGGBRSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:111802) is a ureas (CHEBI:47857)
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