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CHEBI:95260 - 1-[[(2R,3R)-10-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-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:95260
ChEBI Name1-[[(2R,3R)-10-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-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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Last Modified3 March 2016
DownloadsMolfile
FormulaC30H35F3N6O6
Net Charge0
Average Mass632.640
Monoisotopic Mass632.25702
SMILESCc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C30H35F3N6O6/c1-16-13-39(17(2)15-40)27(41)22-7-6-8-23(35-28(42)36-25-18(3)37-45-19(25)4)26(22)44-24(16)14-38(5)29(43)34-21-11-9-20(10-12-21)30(31,32)33/h6-12,16-17,24,40H,13-15H2,1-5H3,(H,34,43)(H2,35,36,42)/t16-,17-,24+/m1/s1
InChIKeyAKXQIFDVEVWSHU-OJLQRUNKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-10-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-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:95260) is a ureas (CHEBI:47857)
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