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Concept information

Preferred term

n-(2,4,6-trinitrophenyl)-betaalaglygly  

Type

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

Broader concept

charge

  • 0

formula

  • C13H14N6O10

inchi

  • InChI=1S/C13H14N6O10/c20-10(15-5-11(21)16-6-12(22)23)1-2-14-13-8(18(26)27)3-7(17(24)25)4-9(13)19(28)29/h3-4,14H,1-2,5-6H2,(H,15,20)(H,16,21)(H,22,23)

inchikey

  • GDKHLUDEBZXPQT-UHFFFAOYSA-N

mass

  • 414.28450

monoisotopicmass

  • 414.07714

smiles

  • OC(=O)CNC(=O)CNC(=O)CCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

subset

  • 3_STAR

synonym EXACT

  • N-(2,4,6-trinitrophenyl)-beta-alanylglycylglycine

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:58980

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