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CHEBI:127683 - N-[(2S,3S)-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-8-yl]-2-phenylacetamide

ChEBI IDCHEBI:127683
ChEBI NameN-[(2S,3S)-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-8-yl]-2-phenylacetamide
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DownloadsMolfile
FormulaC32H35F3N4O5
Net Charge0
Average Mass612.649
Monoisotopic Mass612.25595
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C32H35F3N4O5/c1-20-17-39(21(2)19-40)30(42)26-16-25(36-29(41)15-22-7-5-4-6-8-22)13-14-27(26)44-28(20)18-38(3)31(43)37-24-11-9-23(10-12-24)32(33,34)35/h4-14,16,20-21,28,40H,15,17-19H2,1-3H3,(H,36,41)(H,37,43)/t20-,21-,28+/m0/s1
InChIKeyPRDAOTFPZPBVJB-YHGPEZAFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-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-8-yl]-2-phenylacetamide (CHEBI:127683) is a ureas (CHEBI:47857)
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