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CHEBI:96576 - (2S,3S)-5-[(2R)-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:96576
ChEBI Name(2S,3S)-5-[(2R)-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](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3cncnc3)cc2C1=O
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+/m0/s1
InChIKeyANXFQERLRQGOSV-DDFCPOBKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-5-[(2R)-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:96576) is a aromatic ether (CHEBI:35618)
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