L-Histidine, mono(4-methyl-2-oxopentanoate)
CAS Registry Number®
78000-40-5
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CAS Name
L-Histidine, mono(4-methyl-2-oxopentanoate)Molecular Formula
C6H10O3.C6H9N3O2Cite 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 ) (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
