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CHEBI:103684 - (2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:103684
ChEBI Name(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC29H31FN4O3
Net Charge0
Average Mass502.590
Monoisotopic Mass502.23802
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(F)cc2)Oc2ncc(C#Cc3cccnc3)cc2C1=O
InChIInChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27-/m0/s1
InChIKeyXTWZIVUPDNYJMX-ISCCLHIJSA-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]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:103684) is a aromatic amine (CHEBI:33860)
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