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Concept information

Preferred term

n-[(2r,3r,6s)-6-[2-(2,3-dihydro-1h-inden-2-ylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28N2O6

inchi

  • InChI=1S/C25H28N2O6/c28-13-23-20(27-25(30)17-5-8-21-22(11-17)32-14-31-21)7-6-19(33-23)12-24(29)26-18-9-15-3-1-2-4-16(15)10-18/h1-5,8,11,18-20,23,28H,6-7,9-10,12-14H2,(H,26,29)(H,27,30)/t19-,20+,23-/m0/s1

inchikey

  • KTXYXNLRJUMWJA-MZKRTTBSSA-N

mass

  • 452.501

monoisotopicmass

  • 452.19474

smiles

  • C1C[C@H]([C@@H](O[C@@H]1CC(=O)NC2CC3=CC=CC=C3C2)CO)NC(=O)C4=CC5=C(C=C4)OCO5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:118894

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