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CHEBI:118748 - N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:118748
ChEBI NameN-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
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FormulaC21H21Cl2N3O4
Net Charge0
Average Mass450.322
Monoisotopic Mass449.09091
SMILESO=C(C[C@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H21Cl2N3O4/c22-16-5-3-13(8-17(16)23)10-25-20(28)9-15-4-6-18(19(12-27)30-15)26-21(29)14-2-1-7-24-11-14/h1-8,11,15,18-19,27H,9-10,12H2,(H,25,28)(H,26,29)/t15-,18+,19-/m1/s1
InChIKeyNAYAIYZQZRPBRZ-AYOQOUSVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide (CHEBI:118748) has functional parent nicotinamide (CHEBI:17154)
N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide (CHEBI:118748) is a pyridinecarboxamide (CHEBI:25529)
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