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l-Alanylglycylhistamine dihydro-chloride.

Selmeczi K, Gizzi P, Wenger E, Henry B - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the title compound {systematic name: 4-[2-({N-[(2S)-2-ammonio-propano-yl]glyc-yl}amino)-eth-yl]-1H-imidazol-3-ium dichloride}, C(10)H(19)N(5)O(2) (2+)·2Cl(-), the pseudo-tripeptide l-alanyl-glycyl-histamine is protonated at both the terminal amino group and the histidine N2 atom.The resulting positive charges are neutralized by two chloride anions.The stacking of these sheets along the a axis is supported by N(amide)-H⋯Cl(-) hydrogen bonds.

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ABSTRACT
In the title compound {systematic name: 4-[2-({N-[(2S)-2-ammonio-propano-yl]glyc-yl}amino)-eth-yl]-1H-imidazol-3-ium dichloride}, C(10)H(19)N(5)O(2) (2+)·2Cl(-), the pseudo-tripeptide l-alanyl-glycyl-histamine is protonated at both the terminal amino group and the histidine N2 atom. The resulting positive charges are neutralized by two chloride anions. In the crystal, the organic cation adopts a twisted conformation about the CH(2)-CH(2) bond of histamine and about the C-N bond in the main chain, stabilized by a short intra-molecular C-H⋯O contact. In the crystal, N(+)-H⋯O and N(+)-H⋯Cl(-) hydrogen bonds link the mol-ecules into infinite sheets parallel to the (100) plane. The stacking of these sheets along the a axis is supported by N(amide)-H⋯Cl(-) hydrogen bonds.

No MeSH data available.


Related in: MedlinePlus

Molecular structure of L-Ala-Gly-HA.2HCl with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: Molecular structure of L-Ala-Gly-HA.2HCl with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.


l-Alanylglycylhistamine dihydro-chloride.

Selmeczi K, Gizzi P, Wenger E, Henry B - Acta Crystallogr Sect E Struct Rep Online (2012)

Molecular structure of L-Ala-Gly-HA.2HCl with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379473&req=5

Fap1: Molecular structure of L-Ala-Gly-HA.2HCl with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: In the title compound {systematic name: 4-[2-({N-[(2S)-2-ammonio-propano-yl]glyc-yl}amino)-eth-yl]-1H-imidazol-3-ium dichloride}, C(10)H(19)N(5)O(2) (2+)·2Cl(-), the pseudo-tripeptide l-alanyl-glycyl-histamine is protonated at both the terminal amino group and the histidine N2 atom.The resulting positive charges are neutralized by two chloride anions.The stacking of these sheets along the a axis is supported by N(amide)-H⋯Cl(-) hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound {systematic name: 4-[2-({N-[(2S)-2-ammonio-propano-yl]glyc-yl}amino)-eth-yl]-1H-imidazol-3-ium dichloride}, C(10)H(19)N(5)O(2) (2+)·2Cl(-), the pseudo-tripeptide l-alanyl-glycyl-histamine is protonated at both the terminal amino group and the histidine N2 atom. The resulting positive charges are neutralized by two chloride anions. In the crystal, the organic cation adopts a twisted conformation about the CH(2)-CH(2) bond of histamine and about the C-N bond in the main chain, stabilized by a short intra-molecular C-H⋯O contact. In the crystal, N(+)-H⋯O and N(+)-H⋯Cl(-) hydrogen bonds link the mol-ecules into infinite sheets parallel to the (100) plane. The stacking of these sheets along the a axis is supported by N(amide)-H⋯Cl(-) hydrogen bonds.

No MeSH data available.


Related in: MedlinePlus