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CHEBI:126294 - 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:126294
ChEBI Name1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea
Stars
DownloadsMolfile
FormulaC31H34F3N5O5
Net Charge0
Average Mass613.637
Monoisotopic Mass613.25120
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O
InChIInChI=1S/C31H34F3N5O5/c1-19-16-39(20(2)18-40)28(41)24-10-7-11-25(37-29(42)35-23-14-12-21(13-15-23)31(32,33)34)27(24)44-26(19)17-38(3)30(43)36-22-8-5-4-6-9-22/h4-15,19-20,26,40H,16-18H2,1-3H3,(H,36,43)(H2,35,37,42)/t19-,20+,26+/m0/s1
InChIKeyJFCUVFVNVPBJDX-OUDXUNEISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:126294) is a ureas (CHEBI:47857)
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