CHEBI:110157 - N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide
ChEBI ID CHEBI:110157
Stars This entity has been manually annotated by a third party.
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Formula C30H37N3O5
Net Charge 0
Average Mass 519.633
Monoisotopic Mass 519.27332
InChI InChI=1S/C30H37N3O5/c1-21-18-33(22(2)20-34)30(36)26-16-24(11-7-10-23-8-5-4-6-9-23)17-31-28(26)38-27(21)19-32(3)29(35)25-12-14-37-15-13-25/h4-6,8-9,16-17,21-22,25,27,34H,10,12-15,18-20H2,1-3H3/t21-,22-,27+/m0/s1
InChIKey NEJWGONYBYROJQ-BCQCSXDESA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)C4CCOCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:110157) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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