L-Histidine, 2-oxopentanedioate (1:1)

CAS Registry Number®

1185729-41-2

CAS Name

L-Histidine, 2-oxopentanedioate (1:1)

Molecular Formula

C6H9N3O2.C5H6O5

Cite this Page

L-Histidine, 2-oxopentanedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1185729-41-2 (retrieved 2025-01-03) (CAS RN: 1185729-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H9N3O2.C5H6O5/c7-5(6(10)11)1-4-2-8-3-9-4;6-3(5(9)10)1-2-4(7)8/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1-2H2,(H,7,8)(H,9,10)/t5-;/m0./s1

InChIKey

InChIKey=NEZITABMBWLXRB-JEDNCBNOSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • L-Histidine, 2-oxopentanedioate (1:1)

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