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CHEBI:129801 - N-[(2R,3S)-5-[(2R)-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-(2-thiazolyl)benzamide

ChEBI IDCHEBI:129801
ChEBI NameN-[(2R,3S)-5-[(2R)-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-(2-thiazolyl)benzamide
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DownloadsMolfile
FormulaC34H34F3N5O5S
Net Charge0
Average Mass681.737
Monoisotopic Mass681.22327
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O
InChIInChI=1S/C34H34F3N5O5S/c1-20-17-42(21(2)19-43)32(45)26-5-4-6-27(40-30(44)22-7-9-23(10-8-22)31-38-15-16-48-31)29(26)47-28(20)18-41(3)33(46)39-25-13-11-24(12-14-25)34(35,36)37/h4-16,20-21,28,43H,17-19H2,1-3H3,(H,39,46)(H,40,44)/t20-,21+,28-/m0/s1
InChIKeyPRPSIXOCSCMWNX-GTNJKRJXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2R)-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-(2-thiazolyl)benzamide (CHEBI:129801) is a ureas (CHEBI:47857)
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