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Concept information

Preferred term

n-[2-[(2r,5r,6s)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30ClN3O5

inchi

  • InChI=1S/C21H30ClN3O5/c22-15-2-1-3-16(12-15)24-21(28)25-18-5-4-17(30-19(18)13-26)6-9-23-20(27)14-7-10-29-11-8-14/h1-3,12,14,17-19,26H,4-11,13H2,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m1/s1

inchikey

  • PBAPATWUXUNVNP-GUDVDZBRSA-N

mass

  • 439.934

monoisotopicmass

  • 439.18740

smiles

  • C1C[C@H]([C@H](O[C@H]1CCNC(=O)C2CCOCC2)CO)NC(=O)NC3=CC(=CC=C3)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:118394

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