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Concept information

Preferred term

n-[2-[(2s,5r,6r)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C20H27N3O6

inchi

  • InChI=1S/C20H27N3O6/c24-10-18-15(5-4-14(29-18)7-8-21-19(25)12-1-2-12)23-20(26)22-13-3-6-16-17(9-13)28-11-27-16/h3,6,9,12,14-15,18,24H,1-2,4-5,7-8,10-11H2,(H,21,25)(H2,22,23,26)/t14-,15+,18-/m0/s1

inchikey

  • PYWNIQJEFPCHIF-DAYGRLMNSA-N

mass

  • 405.446

monoisotopicmass

  • 405.18999

smiles

  • C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)C2CC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:118071

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