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CHEBI:95413 - 1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:95413
ChEBI Name1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC28H35F3N4O4
Net Charge0
Average Mass548.606
Monoisotopic Mass548.26104
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(C)CC1CC1
InChIInChI=1S/C28H35F3N4O4/c1-17-13-35(18(2)16-36)26(37)22-5-4-6-23(25(22)39-24(17)15-34(3)14-19-7-8-19)33-27(38)32-21-11-9-20(10-12-21)28(29,30)31/h4-6,9-12,17-19,24,36H,7-8,13-16H2,1-3H3,(H2,32,33,38)/t17-,18-,24+/m1/s1
InChIKeyDGVXOYJWIGFWKL-GGUMNFRJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:95413) is a ureas (CHEBI:47857)
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