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Concept information

Preferred term

n-[(2s,3r,6r)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-3-pyridinecarboxamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H23Cl2N3O4

inchi

  • InChI=1S/C21H23Cl2N3O4/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/h1-3,5,7-8,11,15,18-19,27H,4,6,9-10,12H2,(H,25,28)(H,26,29)/t15-,18-,19-/m1/s1

inchikey

  • AQOAQYOOWGGKER-ATZDWAIDSA-N

mass

  • 452.332

monoisotopicmass

  • 451.10656

smiles

  • C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=C(C=C2)Cl)Cl)CO)NC(=O)C3=CN=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119036

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