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Substance Name: L-Histidine mono(3-methyl-2-oxobutyrate)
RN: 78000-39-2
InChIKey: TWBDHGZHCGZKOQ-JEDNCBNOSA-N

Molecular Formula

  • C6-H9-N3-O2.C5-H8-O3

Molecular Weight

  • 271.2713
 
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Names and Synonyms

Synonym

  • EINECS 278-815-8

Systematic Name

  • L-Histidine mono(3-methyl-2-oxobutyrate)

Registry Numbers

CAS Registry Number

  • 78000-39-2

System Generated Number

  • 0078000392

Molecular Formulas

Molecular Formula

  • C6-H9-N3-O2.C5-H8-O3

Molecular Formula Fragments

  • C5-H8-O3
  • C6-H9-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C6H9N3O2.C5H8O3/c7-5(6(10)11)1-4-2-8-3-9-4;1-3(2)4(6)5(7)8/h2-3,5H,1,7H2,(H,8,9)(H,10,11);3H,1-2H3,(H,7,8)/t5-;/m0./s1

InChIKey

TWBDHGZHCGZKOQ-JEDNCBNOSA-N

Smiles

CC(C)C(=O)C(=O)O.c1c(nc[nH]1)C[C@@H](C(=O)O)N