CHEBI:119709 - N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
ChEBI ID CHEBI:119709
Stars This entity has been manually annotated by a third party.
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Formula C30H38N4O4
Net Charge 0
Average Mass 518.648
Monoisotopic Mass 518.28931
InChI InChI=1S/C30H38N4O4/c1-21-18-34(22(2)20-35)30(37)26-15-24(13-12-23-9-5-4-6-10-23)17-32-29(26)38-27(21)19-33(3)28(36)16-25-11-7-8-14-31-25/h7-8,11,14-15,17,21-23,27,35H,4-6,9-10,16,18-20H2,1-3H3/t21-,22+,27-/m1/s1
InChIKey UXOYYOHZEHALJU-UMTXDNHDSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@@H]1CN(C)C(=O)CC4=CC=CC=N4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide (CHEBI:119709) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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