CHEBI:127351 - (2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)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,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:127351
Stars This entity has been manually annotated by a third party.
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Formula C27H36N4O3
Net Charge 0
Average Mass 464.601
Monoisotopic Mass 464.27874
InChI InChI=1S/C27H36N4O3/c1-19-15-31(20(2)18-32)27(33)24-13-23(22-7-5-4-6-8-22)14-29-26(24)34-25(19)17-30(3)16-21-9-11-28-12-10-21/h7,9-14,19-20,25,32H,4-6,8,15-18H2,1-3H3/t19-,20-,25+/m0/s1
InChIKey LZXHUUDTJFFTFM-ZYLNGJIFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:127351) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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