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CHEBI:103736 - 1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:103736
ChEBI Name1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC27H35F3N4O4
Net Charge0
Average Mass536.595
Monoisotopic Mass536.26104
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H35F3N4O4/c1-17-14-34(18(2)16-35)25(36)13-19-12-22(32(3)4)10-11-23(19)38-24(17)15-33(5)26(37)31-21-8-6-20(7-9-21)27(28,29)30/h6-12,17-18,24,35H,13-16H2,1-5H3,(H,31,37)/t17-,18-,24-/m1/s1
InChIKeyHTAOZDWNFXTPJO-QZTZHPFYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:103736) is a ureas (CHEBI:47857)
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