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CHEBI:129057 - (2R,3R)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:129057
ChEBI Name(2R,3R)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-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
SMILESCC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1cccc(F)c1)O2
InChIInChI=1S/C27H34FN3O3/c1-18(2)9-10-21-12-24-26(29-13-21)34-25(19(3)14-31(27(24)33)20(4)17-32)16-30(5)15-22-7-6-8-23(28)11-22/h6-8,11-13,18-20,25,32H,14-17H2,1-5H3/t19-,20+,25+/m1/s1
InChIKeyRCBFPFDKOMXSAW-RNHFSVANSA-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,3R)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:129057) is a aromatic amine (CHEBI:33860)
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