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Concept information

Preferred term

n-[(2r,3s,6r)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30N6O3

inchi

  • InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18+,19+/m1/s1

inchikey

  • NKPFHNDONDWVBL-QYZOEREBSA-N

mass

  • 402.491

monoisotopicmass

  • 402.23794

smiles

  • CN(C)CC1=CN(N=N1)CC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102575

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