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CHEBI:128340 - 4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:128340
ChEBI Name4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
Stars
DownloadsMolfile
FormulaC33H37F3N4O6
Net Charge0
Average Mass642.675
Monoisotopic Mass642.26652
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O
InChIInChI=1S/C33H37F3N4O6/c1-20-16-40(21(2)19-41)30(42)15-24-14-27(38-32(45)37-26-10-8-25(9-11-26)33(34,35)36)12-13-28(24)46-29(20)18-39(3)17-22-4-6-23(7-5-22)31(43)44/h4-14,20-21,29,41H,15-19H2,1-3H3,(H,43,44)(H2,37,38,45)/t20-,21+,29+/m0/s1
InChIKeySKCLKWXALHCSPG-BNJCFXFUSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:128340) is a ureas (CHEBI:47857)
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