Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 10 (October 2005)

organic compounds

gg1264 scheme

Acta Cryst. (2005). C61, o577-o582 [ doi:10.1107/S0108270105026259 ]

Cytosine-containing hybrid dipeptides: N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-phenylalanine N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-serine monohydrate and N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-lysine

M. Doi, Y. Nakamoto and A. Asano

Abstract: The title compounds are cytosine-incorporating hybrid dipeptides showing affinities for 9-ethyl-7-methylguanine (7mG). Four molecules of the L-phenylalanine (L-Phe) derivative, C₁₆H₁₄N₄O₄, are present in the asymmetric unit, with similar folded conformations but with slightly different torsion angles involving the L-Phe group. The L-serine (L-Ser) derivative crystallizes as a monohydrate, C₁₀H₁₄N₄O₅·H₂O, the two independent molecules having extended conformations, whereas the two independent molecules of the L-lysine (L-Lys) system in the final compound, C₁₃H₂₁N₅O₄, are folded. The cytosine-cytosine base pair (pyrimidine NN interactions) was observed only for the L-lysine derivative. Conformational comparisons with previous structures of cytosine hybrid dipeptides may show the relationships between side-chain position and binding phases for 7mG.

Formula: C₁₆H₁₈N₄O₄, C₁₀H₁₄N₄O₅·H₂O and C₁₃H₂₁N₅O₄


	Structure factor file (CIF format) (296.6 kbytes) Contains datablock I

	Structure factor file (CIF format) (114.8 kbytes) Contains datablock II

	Structure factor file (CIF format) (145.8 kbytes) Contains datablock III

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