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CHEBI:119632 - (2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:119632
ChEBI Name(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC28H36FN3O4
Net Charge0
Average Mass497.611
Monoisotopic Mass497.26898
SMILESCCCC(O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(F)cc1)O2
InChIInChI=1S/C28H36FN3O4/c1-5-6-24(34)12-9-22-13-25-27(30-14-22)36-26(19(2)15-32(28(25)35)20(3)18-33)17-31(4)16-21-7-10-23(29)11-8-21/h7-8,10-11,13-14,19-20,24,26,33-34H,5-6,15-18H2,1-4H3/t19-,20+,24?,26-/m0/s1
InChIKeyYUXSENMZTSZBGU-QUWXJRFASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:119632) is a aromatic amine (CHEBI:33860)
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