L-Histidine, mono(4-methyl-2-oxopentanoate)

CAS Registry Number®

78000-40-5

CAS Name

L-Histidine, mono(4-methyl-2-oxopentanoate)

Molecular Formula

C6H10O3.C6H9N3O2

Cite this Page

L-Histidine, mono(4-methyl-2-oxopentanoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78000-40-5 (retrieved 2024-11-22) (CAS RN: 78000-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H9N3O2.C6H10O3/c7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,3H2,1-2H3,(H,8,9)/t5-;/m0./s1

InChIKey

InChIKey=SEGLGXWKMQWPCB-JEDNCBNOSA-N

SMILES

C(CC(C)C)(C(O)=O)=O.C([C@@H](C(O)=O)N)C1=CN=CN1

Canonical SMILES

O=C(O)C(=O)CC(C)C.O=C(O)C(N)CC1=CN=CN1

Other Names for this Substance

  • L-Histidine, mono(4-methyl-2-oxopentanoate)
  • Pentanoic acid, 4-methyl-2-oxo-, compd. with L-histidine (1:1)
  • L-Histidine α-ketoisocaproate

CAS INSIGHTSTM
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