CHEBI:106125 - (2R,3R)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)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 (2R,3R)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:106125
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H36FN3O4
Net Charge 0
Average Mass 485.592
Monoisotopic Mass 485.26898
InChI InChI=1S/C27H36FN3O4/c1-18-14-31(19(2)17-32)27(33)24-12-22(21-5-4-6-23(28)11-21)13-29-26(24)35-25(18)16-30(3)15-20-7-9-34-10-8-20/h4-6,11-13,18-20,25,32H,7-10,14-17H2,1-3H3/t18-,19+,25+/m1/s1
InChIKey IPGCYDACBMVSLM-WYEJZRMESA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)F)O[C@H]1CN(C)CC4CCOCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2R,3R)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106125) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-17486 LINCS
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