CHEBI:118547 - N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide

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ChEBI Name N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
ChEBI ID CHEBI:118547
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000095678261
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Formula C21H21Cl2N3O4
Net Charge 0
Average Mass 450.316
Monoisotopic Mass 449.09091
InChI InChI=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
InChIKey NAYAIYZQZRPBRZ-ATZDWAIDSA-N
SMILES C1=CC(=CN=C1)C(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
ChEBI Ontology
Outgoing N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide (CHEBI:118547) has functional parent nicotinamide (CHEBI:17154)
N-[(2S,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide (CHEBI:118547) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
LSM-29996 LINCS
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