CHEBI:96093 - (2R,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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ChEBI Name (2R,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 ID CHEBI:96093
Stars This entity has been manually annotated by a third party.
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Formula C32H35N5O4
Net Charge 0
Average Mass 553.653
Monoisotopic Mass 553.26890
InChI InChI=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
InChIKey ANXFQERLRQGOSV-HFZPWKHCSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CN=CN=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO
ChEBI Ontology
Outgoing (2R,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:96093) is a aromatic ether (CHEBI:35618)
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