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CHEBI:111684 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:111684
ChEBI NameN-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
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DownloadsMolfile
FormulaC30H37F3N4O6
Net Charge0
Average Mass606.642
Monoisotopic Mass606.26652
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCOCC3)c2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H37F3N4O6/c1-18-15-37(19(2)17-38)28(40)23-5-4-6-24(35-27(39)20-11-13-42-14-12-20)26(23)43-25(18)16-36(3)29(41)34-22-9-7-21(8-10-22)30(31,32)33/h4-10,18-20,25,38H,11-17H2,1-3H3,(H,34,41)(H,35,39)/t18-,19+,25-/m1/s1
InChIKeyTZPMNVZBAPWBQT-HHJKRLRDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:111684) is a ureas (CHEBI:47857)
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