CHEBI:96571 - (2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

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ChEBI Name (2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:96571
Stars This entity has been manually annotated by a third party.
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Formula C24H29N3O3
Net Charge 0
Average Mass 407.506
Monoisotopic Mass 407.22089
InChI InChI=1S/C24H29N3O3/c1-17-14-27(18(2)16-28)24(29)21-12-20(11-10-19-8-6-5-7-9-19)13-25-23(21)30-22(17)15-26(3)4/h5-9,12-13,17-18,22,28H,14-16H2,1-4H3/t17-,18+,22-/m0/s1
InChIKey QMORQNHXMKKFEQ-SVMVAKDDSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=CC=C3)O[C@H]1CN(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing (2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96571) is a aromatic ether (CHEBI:35618)
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