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CHEBI:127500 - N-[(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-10-yl]-4-(2-thiazolyl)benzamide

ChEBI IDCHEBI:127500
ChEBI NameN-[(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-10-yl]-4-(2-thiazolyl)benzamide
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DownloadsMolfile
FormulaC39H40N4O5S
Net Charge0
Average Mass676.839
Monoisotopic Mass676.27194
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C39H40N4O5S/c1-26-22-43(27(2)25-44)39(46)33-10-7-11-34(41-37(45)29-14-16-30(17-15-29)38-40-20-21-49-38)36(33)48-35(26)24-42(3)23-28-12-18-32(19-13-28)47-31-8-5-4-6-9-31/h4-21,26-27,35,44H,22-25H2,1-3H3,(H,41,45)/t26-,27-,35-/m1/s1
InChIKeyUZEHIQNFVBKJCC-DOBRQBTGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(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-10-yl]-4-(2-thiazolyl)benzamide (CHEBI:127500) is a aromatic ether (CHEBI:35618)
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