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CHEBI:99751 - N-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:99751
ChEBI NameN-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
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DownloadsMolfile
FormulaC21H26N2O4
Net Charge0
Average Mass370.449
Monoisotopic Mass370.18926
SMILESO=C(N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1
InChIInChI=1S/C21H26N2O4/c24-13-19-18(22-21(26)15-5-6-15)8-7-17(27-19)11-20(25)23-10-9-14-3-1-2-4-16(14)12-23/h1-4,7-8,15,17-19,24H,5-6,9-13H2,(H,22,26)/t17-,18-,19+/m0/s1
InChIKeyQCIRQJIZWMFOON-GBESFXJTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide (CHEBI:99751) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-11130LINCS