CHEBI:131072 - (2S,3S)-8-(1-cyclohexenyl)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-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)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:131072
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H41N3O3
Net Charge 0
Average Mass 455.634
Monoisotopic Mass 455.31479
InChI InChI=1S/C27H41N3O3/c1-19-15-30(20(2)18-31)27(32)24-13-23(22-11-5-4-6-12-22)14-28-26(24)33-25(19)17-29(3)16-21-9-7-8-10-21/h11,13-14,19-21,25,31H,4-10,12,15-18H2,1-3H3/t19-,20-,25+/m0/s1
InChIKey KFKPEQDLMUYLFP-ZYLNGJIFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)CC4CCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S,3S)-8-(1-cyclohexenyl)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:131072) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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