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CHEBI:113784 - N-[(2R,3R)-5-[(2S)-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-oxanecarboxamide

ChEBI IDCHEBI:113784
ChEBI NameN-[(2R,3R)-5-[(2S)-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-oxanecarboxamide
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DownloadsMolfile
FormulaC35H43N3O6
Net Charge0
Average Mass601.744
Monoisotopic Mass601.31519
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCOCC3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C35H43N3O6/c1-24-20-38(25(2)23-39)35(41)30-10-7-11-31(36-34(40)27-16-18-42-19-17-27)33(30)44-32(24)22-37(3)21-26-12-14-29(15-13-26)43-28-8-5-4-6-9-28/h4-15,24-25,27,32,39H,16-23H2,1-3H3,(H,36,40)/t24-,25+,32+/m1/s1
InChIKeyCCYKTEMVMBOJBS-NPPPIGHJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-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-oxanecarboxamide (CHEBI:113784) is a aromatic ether (CHEBI:35618)
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