CHEBI:114006 - (2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)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-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one ChEBI ID CHEBI:114006 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H38N4O3 Net Charge 0 Average Mass 490.638 Monoisotopic Mass 490.29439 InChI InChI=1S/C29H38N4O3/c1-21-17-33(22(2)20-34)29(35)26-14-24(12-11-23-8-5-4-6-9-23)16-31-28(26)36-27(21)19-32(3)18-25-10-7-13-30-15-25/h7,10,13-16,21-23,27,34H,4-6,8-9,17-20H2,1-3H3/t21-,22-,27-/m1/s1 InChIKey NDPUBMYQFYUKKS-VHFRWLAGSA-N SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@@H]1CN(C)CC4=CN=CC=C4)[C@H](C)CO ChEBI Ontology Outgoing (2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:114006) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-25438 LINCS View more database links