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CHEBI:98738 - 1-(2,5-difluorophenyl)-3-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea

ChEBI IDCHEBI:98738
ChEBI Name1-(2,5-difluorophenyl)-3-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea
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FormulaC24H27F2N3O4
Net Charge0
Average Mass459.493
Monoisotopic Mass459.19696
SMILESO=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO
InChIInChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20+,22-/m1/s1
InChIKeyBOSRLBMZBBTOKS-KAGYGMCKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(2,5-difluorophenyl)-3-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea (CHEBI:98738) is a C-glycosyl compound (CHEBI:20857)
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