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CHEBI:124101 - 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-8-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:124101
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-8-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC35H38N4O5
Net Charge0
Average Mass594.712
Monoisotopic Mass594.28422
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C35H38N4O5/c1-24-20-39(25(2)23-40)35(42)31-19-28(37-34(41)27-15-17-36-18-16-27)11-14-32(31)44-33(24)22-38(3)21-26-9-12-30(13-10-26)43-29-7-5-4-6-8-29/h4-19,24-25,33,40H,20-23H2,1-3H3,(H,37,41)/t24-,25-,33-/m1/s1
InChIKeyNYKHOXZKFLRULB-WTBTXGFSSA-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-8-yl]-4-pyridinecarboxamide (CHEBI:124101) is a aromatic ether (CHEBI:35618)
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