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CHEBI:95782 - (2S,3R)-8-(1-cyclopentenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:95782
ChEBI Name(2S,3R)-8-(1-cyclopentenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-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
FormulaC27H34FN3O3
Net Charge0
Average Mass467.585
Monoisotopic Mass467.25842
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)Cc1ccccc1F
InChIInChI=1S/C27H34FN3O3/c1-18-14-31(19(2)17-32)27(33)23-12-22(20-8-4-5-9-20)13-29-26(23)34-25(18)16-30(3)15-21-10-6-7-11-24(21)28/h6-8,10-13,18-19,25,32H,4-5,9,14-17H2,1-3H3/t18-,19+,25-/m1/s1
InChIKeyUPQGSBDKNNCSHF-HHJKRLRDSA-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)
(2S,3R)-8-(1-cyclopentenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:95782) is a aromatic amine (CHEBI:33860)
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