Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)


organic compounds



Acta Cryst. (2013). C69, 277-281    [ doi:10.1107/S0108270113002539 ]

Two phosphono­dehydro­tripeptides: Boc0-Gly1-[Delta](Z)Phe2-[alpha]-Abu3PO3Me2 and Boc0-Gly1-[Delta](Z)Phe2-[alpha]-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 [Delta]Phe (dehydro­phenyl­alanine) residue, namely dimethyl (3-{[tert-but­oxy­carbonyl­glycyl-[alpha],[beta]-(Z)-dehydro­phenyl­alanyl]­amino}­propyl)­phosphon­ate, Boc0-Gly1-[Delta](Z)Phe2-[alpha]-Abu3PO3Me2, C21H32N3O7P, (I), and diethyl (4-{[tert-but­oxy­carbonyl­glycyl-[alpha],[beta]-(Z)-dehydrophenyl­alanyl]­amino}­butyl)­phos­phon­ate, Boc0-Gly1-[Delta](Z)Phe2-[alpha]-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[alpha] 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


hkldisplay filedownload file

Structure factor file (CIF format) (165.3 kbytes)
[ doi:10.1107/S0108270113002539/sk3464Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (525.7 kbytes)
[ doi:10.1107/S0108270113002539/sk3464IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (567.0 kbytes)
[ doi:10.1107/S0108270113002539/sk3464IIIsup4.hkl ]
Contains datablock III


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