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CHEBI:126506 - 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:126506
ChEBI Name1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-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)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O
InChIInChI=1S/C26H33F3N4O4/c1-16-13-33(17(2)15-34)24(35)12-18-11-21(9-10-22(18)37-23(16)14-32(3)4)31-25(36)30-20-7-5-19(6-8-20)26(27,28)29/h5-11,16-17,23,34H,12-15H2,1-4H3,(H2,30,31,36)/t16-,17+,23+/m0/s1
InChIKeyFLXUQCGQCREOKE-YGKZAACZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:126506) is a ureas (CHEBI:47857)
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