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The synthesis, characterization and crystal structure of the title compound,  N -ferrocenoyl- L -Pro- L -Leu-Gly-OMe (Fc-PLG), were reported in this paper. The title compound crystallized in a monoclinic system, space group C2 with  Z  = 4,  a  = 20.803(3) Å,  b  = 6.4428(4) Å,  c  = 20.557(2) Å,  α  = 90°,  β  = 115.498(5)°,  γ  = 90°;  R  = 0.0451. The Cp rings in the ferrocenoyl group are nearly coplanar, making a dihedral angle of 178.2 (4)°, while the substituted cyclopentadienyl ring and the proline ring are virtually coplanar with a very small twist angle of 14.0°. Strong hydrogen bonds between the Gly amide group N13 and the Pro carbonyl group O11 (d (N … O) = 2.835 Å) make the molecules fold into a  β -turn conformation.

Synthesis and structure of N -ferrocenoyl-labeled tripeptide: N -Fc- L -Pro- L -Leu-Gly-OMe