This structer was produced by RasMol,
and stucked by GifBuilder (Yves Piguet, 1997)

ORTEP-III (Burnett, 1996) drawing

Peptoids, amino acid mimics, have the basic unit of N-substituted glycine derivatives and were designed as a new series of potentially bioactive compounds (Simon et al., 1992; Zuckermann, Kerr, Kent, & Moos, 1992). The side chain or functional group is bonded to the alpha-nitrogen, contrary to the usual side chain, bound to the alpha-carbon. The chemical structure is similar to that of a \b-amino acid, and metabolic stability, reduction of conformational constraint by chirality and wide variability of functional groups are expected (Figliozzi, Goldsmith, Ng, Banville, & Zuckermann, 1996). Relative to polypeptides, polypeptoids have their side chains shifted by one position along the backbone. A monomer derivative, N-tert-butyloxycarbonyl-N-benzylglycine (Boc-Nphe), was crystallized from ethyl acetate solution in the centrosymmetric space group P21/a.
Paper: Mitsunobu Doi, Kazue Kinoshita, Akiko Asano, Ryuji Yoneda, Takushi Kurihara & Toshimasa Ishida
Acta Crystallogr. Sect. C, 54, 1164-1165 (1998).

X-Ray Data Summary
formulaC14 H19 N O4
space groupP21/a
Cell Crystal
a 13.323(2) Ang. description block
b 7.8005(9) Ang. colour Colorless
c 15.324(2) Ang. size (mm) 0.6x0.4x0.1
alpha 90.0 deg. Dx (g/ml) 1.181
beta 110.499(8) deg. F(000) 568
gamma 90.0 deg. mu(CuKa) 0.713
volume 1491.7(3) Ang^3
Z 4
Refinement Diffrn measurement
Flack device type Rigaku AFC5R/RU-200
parameters 176 decay 0.7 %
restraints 0 index limit 0-h-15,-9-k-0,-17-L-16
R_factor_all 0.0954 theta (deg.) 3.08 - 63.18
R_factor_gt 0.0679 total reflections 2533
wR_factor_ref 0.2884 reflections(obs) 1783 .gt. 2sigma(I)
wR_factor_gt 0.1826 Structure
shift/su_max lt.0.001 solution SHELXS-97
shift/su_mean lt.0.001 refinement SHELXL-97

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Date: Jun.1998