CHEBI:119666 - (2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-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-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:119666
Stars This entity has been manually annotated by a third party.
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Formula C23H33N3O3
Net Charge 0
Average Mass 399.527
Monoisotopic Mass 399.25219
InChI InChI=1S/C23H33N3O3/c1-16-14-26(17(2)15-27)23(28)20-11-19(10-9-18-7-5-4-6-8-18)12-25-22(20)29-21(16)13-24-3/h11-12,16-18,21,24,27H,4-8,13-15H2,1-3H3/t16-,17+,21-/m1/s1
InChIKey PFFBWYBXOPTHIK-LLGFUMIMSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@@H]1CNC)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:119666) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-31112 LINCS
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