CHEBI:102409 - N-[(2S,3S,6S)-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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ChEBI Name N-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
ChEBI ID CHEBI:102409
Stars This entity has been manually annotated by a third party.
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Formula C21H26N2O4
Net Charge 0
Average Mass 370.443
Monoisotopic Mass 370.18926
InChI InChI=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-/m1/s1
InChIKey QCIRQJIZWMFOON-CEXWTWQISA-N
SMILES C1CC1C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3
ChEBI Ontology
Outgoing N-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide (CHEBI:102409) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-13760 LINCS
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