Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)

organic compounds

 

Two phosphonodehydrotripeptides: Boc⁰-Gly¹-(Z)Phe²--Abu³PO₃Me₂ and Boc⁰-Gly¹-(Z)Phe²--Nva³PO₃Et₂

A. Brzuszkiewicz, M. Makowski, M. Lisowski, E. Lis, M. Otreba and T. Lis

Abstract: The present paper reports the crystal structures of two short phosphonotripeptides (one in two crystal forms) containing one Phe (dehydrophenylalanine) residue, namely dimethyl (3-{[tert-butoxycarbonylglycyl-,-(Z)-dehydrophenylalanyl]amino}propyl)phosphonate, Boc⁰-Gly¹-(Z)Phe²--Abu³PO₃Me₂, C₂₁H₃₂N₃O₇P, (I), and diethyl (4-{[tert-butoxycarbonylglycyl-,-(Z)-dehydrophenylalanyl]amino}butyl)phosphonate, Boc⁰-Gly¹-(Z)Phe²--Nva³PO₃Et₂, as the propan-2-ol monosolvate 0.122-hydrate, C₂₄H₃₈N₃O₇P·C₃H₈O·0.122H₂O, (II), and the ethanol monosolvate 0.076-hydrate, C₂₄H₃₈N₃O₇P·C₂H₆O·0.076H₂O, (III). The crystals of (II) and (III) are isomorphous but differ in the type of solvent. The phosphono group is linked directly to the last C atom in the main chain for all three peptides. All the amino acids are trans linked in the main chains. The crystal structures exhibit no intramolecular hydrogen bonds and are stabilized by intermolecular hydrogen bonds only.

Formula: C₂₁H₃₂N₃O₇P and two solvates of C₂₄H₃₈N₃O₇P

	Structure factor file (CIF format) (165.3 kbytes) [ doi:10.1107/S0108270113002539/sk3464Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (525.7 kbytes) [ doi:10.1107/S0108270113002539/sk3464IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (567.0 kbytes) [ doi:10.1107/S0108270113002539/sk3464IIIsup4.hkl ] Contains datablock III

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