CHEBI:130196 - (2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:130196
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H36N4O3
Net Charge 0
Average Mass 416.558
Monoisotopic Mass 416.27874
InChI InChI=1S/C23H36N4O3/c1-7-10-26(6)15-21-17(2)14-27(18(3)16-28)23(29)20-12-19(9-8-11-25(4)5)13-24-22(20)30-21/h12-13,17-18,21,28H,7,10-11,14-16H2,1-6H3/t17-,18+,21-/m1/s1
InChIKey MYQHHELRUSFZCD-LVCYWYKZSA-N
SMILES CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(O1)N=CC(=C2)C#CCN(C)C)[C@@H](C)CO)C
ChEBI Ontology
Outgoing (2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130196) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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