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CHEBI:96629 - (2R,3S)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:96629
ChEBI Name(2R,3S)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC27H34FN3O4
Net Charge0
Average Mass483.584
Monoisotopic Mass483.25333
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@H]1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C27H34FN3O4/c1-18-14-31(19(2)17-32)26(33)23-12-20(9-10-27(3,4)34)13-29-25(23)35-24(18)16-30(5)15-21-7-6-8-22(28)11-21/h6-8,11-13,18-19,24,32,34H,14-17H2,1-5H3/t18-,19-,24-/m0/s1
InChIKeyHVXCQDGXUZNQFT-JXQFQVJHSA-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-[[(3-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96629) is a aromatic amine (CHEBI:33860)
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