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CHEBI:130074 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:130074
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
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DownloadsMolfile
FormulaC35H41N5O6
Net Charge0
Average Mass627.742
Monoisotopic Mass627.30568
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2
InChIInChI=1S/C35H41N5O6/c1-22-18-40(23(2)21-41)34(42)30-17-27(36-35(43)37-33-24(3)38-46-25(33)4)13-16-31(30)45-32(22)20-39(5)19-26-11-14-29(15-12-26)44-28-9-7-6-8-10-28/h6-17,22-23,32,41H,18-21H2,1-5H3,(H2,36,37,43)/t22-,23-,32-/m1/s1
InChIKeyXSTATDAYTJGYSZ-ULIDOWHDSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:130074) is a aromatic ether (CHEBI:35618)
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