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CHEBI:96398 - (2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:96398
ChEBI Name(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC32H35N5O4
Net Charge0
Average Mass553.663
Monoisotopic Mass553.26890
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3cncnc3)cnc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C32H35N5O4/c1-22-17-37(23(2)20-38)32(39)29-13-25(26-14-33-21-34-15-26)16-35-31(29)41-30(22)19-36(3)18-24-9-11-28(12-10-24)40-27-7-5-4-6-8-27/h4-16,21-23,30,38H,17-20H2,1-3H3/t22-,23+,30-/m1/s1
InChIKeyANXFQERLRQGOSV-DUELTEGESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96398) is a aromatic ether (CHEBI:35618)
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