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CHEBI:96509 - (2S,3R)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:96509
ChEBI Name(2S,3R)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-pent-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
SMILESCCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccccc1F)O2
InChIInChI=1S/C27H34FN3O3/c1-5-6-7-10-21-13-23-26(29-14-21)34-25(19(2)15-31(27(23)33)20(3)18-32)17-30(4)16-22-11-8-9-12-24(22)28/h8-9,11-14,19-20,25,32H,5-6,15-18H2,1-4H3/t19-,20+,25-/m1/s1
InChIKeyRXPBILAYEMNMFE-OHUGHZGNSA-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)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96509) is a aromatic amine (CHEBI:33860)
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