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CHEBI:129495 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

ChEBI IDCHEBI:129495
ChEBI Name1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
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DownloadsMolfile
FormulaC31H35F3N4O4
Net Charge0
Average Mass584.639
Monoisotopic Mass584.26104
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H35F3N4O4/c1-20-16-38(21(2)19-39)29(40)26-15-25(36-30(41)35-24-7-5-4-6-8-24)13-14-27(26)42-28(20)18-37(3)17-22-9-11-23(12-10-22)31(32,33)34/h4-15,20-21,28,39H,16-19H2,1-3H3,(H2,35,36,41)/t20-,21-,28-/m1/s1
InChIKeyRUOZLMFIBHXSJW-UMQWNRPGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea (CHEBI:129495) is a ureas (CHEBI:47857)
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