Structures

Below you will find a list of currently published peptoid structures, grouped by article and to the best of our knowledge, ordered chronologically. Please see this page for a detailed explanation of our identification and other policies. We encourage researchers to use this data freely to pursue their work but we caution that our structural information has not been independently validated. In addition, our structure identifiers and nomenclature are subject to change. If you feel your findings or any work you are aware of is omitted or incorrect please alert us.

19AB1-2-A

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Linear Dimer (benzyl side chains)

Castellano, V.; Chippindale, A.M.; Hamley, I.W.; Barnett, S.; Hasan, A.; Lau, K.H.A.

04/29/2019

X-Ray Diffraction

Crystallization and lamellar nanosheets formation of an aromatic dipeptoid (2019) Chem. Comm. 55:5867

19AA1-8-C

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Cyclic Octamer (propargyl and methoxyethyl side chains)

Tedesco, C.; Schettini, R.; Iuliano, V.; Pierri, G.; Fitch, A.N.; De Riccardis, F.; Izzo, I.

11/30/2018

X-Ray Diffraction

Role of Side Chains in the Solid State Assembly of Cyclic Peptoids (2019) Cryst. Growth. Des. 19, 125-133

Helical pentamer with chiral alkyl side chains

17AD2-5-A

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Helical Pentamer (chiral alkyl side chains)

Roy, O.; Dumonteil, G.; Faure, S.; Jouffret, L.; Kriznik, A.; Taillefumier, C.

10/07/2017

X-Ray Diffraction

Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains (2017) J. Am. Chem. Soc. 139(38):13533-13540

Helical heptamer with tert-butyl side chains

17AD1-7-A

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Helical Heptamer (chiral alkyl side chains)

Roy, O.; Dumonteil, G.; Faure, S.; Jouffret, L.; Kriznik, A.; Taillefumier, C.

10/07/2017

X-Ray Diffraction

Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains (2017) J. Am. Chem. Soc. 139(38):13533-13540

17AC3-6-C

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Cyclic Hexamer (benzyl and tert-butyl side chains)

D’Amato, A.; Volpe, R.; Vaccaro, M. C.; Terracciano, S.; Bruno, I.; Tosolini, M.; Tedesco, C.; Pierri, G.; Tecilla, P.; Costabile, C.; Della Sala, G.; Izzo, I.; De Riccardis, F.

08/1/2017

X-Ray Diffraction

Cyclic Peptoids as Mycotoxin Mimics: An Exploration of Their Structural and Biological Properties. (2017) Journal of Organic Chemistry 82:17, 8848-8863

Cyclic hexamer with benzyl and isopropyl side chains

17AC2-6-C

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Cyclic Hexamer (benzyl and isopropyl side chains)

D’Amato, A.; Volpe, R.; Vaccaro, M. C.; Terracciano, S.; Bruno, I.; Tosolini, M.; Tedesco, C.; Pierri, G.; Tecilla, P.; Costabile, C.; Della Sala, G.; Izzo, I.; De Riccardis, F.

08/1/2017

X-Ray Diffraction

Cyclic Peptoids as Mycotoxin Mimics: An Exploration of Their Structural and Biological Properties. (2017) Journal of Organic Chemistry 82:17, 8848-8863

Cyclic Hexamer with isopropyl side chains

17AC1-6-C

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Cyclic Hexamer (isopropyl side chains)

D’Amato, A.; Volpe, R.; Vaccaro, M. C.; Terracciano, S.; Bruno, I.; Tosolini, M.; Tedesco, C.; Pierri, G.; Tecilla, P.; Costabile, C.; Della Sala, G.; Izzo, I.; De Riccardis, F.

08/1/2017

X-Ray Diffraction

Cyclic Peptoids as Mycotoxin Mimics: An Exploration of Their Structural and Biological Properties. (2017) Journal of Organic Chemistry 82:17, 8848-8863

17AB2-8-A

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Square Helical Octamer

Gorske, Benjamin C., Mumford, Emily M., Gerrity, Charles G., Ko, Imelda

5/24/2017

Solution NMR

A Peptoid Square Helix via Synergistic Control of Backbone Dihedral Angles (2017) J. Am. Chem. Soc. 139(24):8070-8073

17AB1-5-A

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Ribbon Pentamer

Gorske, Benjamin C., Mumford, Emily M., Gerrity, Charles G., Ko, Imelda

5/24/2017

Solution NMR

A Peptoid Square Helix via Synergistic Control of Backbone Dihedral Angles (2017) J. Am. Chem. Soc. 139(24):8070-8073

Cyclic Hexamer with methoxyethyl and propargyl side chains

17AA1-6-C

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Cyclic hexamer with propargyl and methoxyethyl side chains

Tedesco, C.; Macedi, E.; Meli, A.; Pieri, G.; Della Sala, G.; Drathen, C.; Fitch, A.N.; Vaughan, G.B.M.; Izzo, I.; De Riccardis, F.

2/13/2017

X-Ray Diffraction

Synthesis, crystallization, X-ray structural
characterization and solid-state assembly of a
cyclic hexapeptoid with propargyl and
methoxyethyl side chains. (2017) Acta Cryst. B73:399-412

16AB1-3-A

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ω-Strand

Gorske, B.; Mumford, E.M.; Conry, R.R.

5/23/2016

X-Ray Diffraction

Tandem incorporation of enantiomeric residues engenders discrete peptoid structures. (2016) Org. Lett. 18:2780-2783

16AA2-5-A

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N-tert-Butyl Linear Pentamer

Angelici, G. Bhattacharjee, N. Roy, O. Faure, S. Didierjean, C. Jouffret, L. Jolibois, F. Perrin, L. Taillefumier, C.

2/17/2016

X-Ray Diffraction

Weak Backbone CH ⋯ O=C and Side Chain tBu ⋯ tBu London Interactions Help Promote Helix Folding of Achiral NtBu Peptoids. Chem. Commun. 2016, 52 (24), 4573–4576.

16AA1-3-A

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N-tert-Butyl Linear Trimer

Angelici, G. Bhattacharjee, N. Roy, O. Faure, S. Didierjean, C. Jouffret, L. Jolibois, F. Perrin, L. Taillefumier, C.

2/17/2016

X-Ray Diffraction

Weak Backbone CH ⋯ O=C and Side Chain tBu ⋯ tBu London Interactions Help Promote Helix Folding of Achiral NtBu Peptoids. Chem. Commun. 2016, 52 (24), 4573–4576.

15AA1-6-A

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β-Peptoid Triangular Helix

Larson, J.S.; Harris, P; Fristrup, P.; Olsen, C.

5/6/2015

X-Ray Diffraction

Triangular prism-shaped β-peptoid helices as unique biomimetic scaffolds. (2015) N. Comms. 6:7013

14AA1-4-C

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N-Benzyl Cyclic Tetramer

Tedesco, C.; Erra, L.; Izzo, I.; De Riccardis, F.

2/10/2014

X-Ray Diffraction

Solid state assembly of cyclic α-peptoids. (2014) Cryst. Eng. Comm. 16:3667-3687

13AE1-4-C

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α,β-Cyclic Tetramer (N-Cα Branched Side Chain)

Caumes, C.; Fernandes, C.; Roy, O.; Hjelmgaard, T.; Wenger, E.; Didierjean, C.; Taillefumier, C.; Faure, S.
06/27/2013
X-Ray Diffraction
Cyclic α,β-Tetrapeptoids: Sequence-Dependent Cyclization and Conformational Preference. (2013) Org. Lett. 15(14): 3626–3629.

13AD1-2-A

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N–tert-Butyl Linear Dimer

Roy, O.; Caumes, C.; Esvan, Y.; Didierjean, C.; Faure, S.; Taillefumier, C.
04/16/2013
X-Ray Diffraction
The tert-Butyl Side Chain: A Powerful Means to Lock Peptoid Amide Bonds in the Cis Conformation. (2013) Org. Lett. 15(9): 2246-2249.

13AC4-4-A

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N-1-Naphthylethyl/N-Aryl Ribbon Tetramer

Crapster, J.; Guzei, I.; Blackwell, H.
04/09/2013
X-Ray Diffraction
A Peptoid Ribbon Secondary Structure. (2013) Angew. Chem. Int. Ed. 52: 5079.

13AC3-3-A

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N-1-Naphthylethyl/N-Aryl Linear Trimer

Crapster, J.; Guzei, I.; Blackwell, H.
04/09/2013
X-Ray Diffraction
A Peptoid Ribbon Secondary Structure. (2013) Angew. Chem. Int. Ed. 52: 5079.

13AC2-2-A

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N-1-Naphthylethyl/N-Aryl Linear Dimer

Crapster, J.; Guzei, I.; Blackwell, H.
04/09/2013
X-Ray Diffraction
A Peptoid Ribbon Secondary Structure. (2013) Angew. Chem. Int. Ed. 52: 5079.

13AC1-6-A

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N-1-Naphthylethyl/N-Aryl Ribbon Hexamer

Crapster, J.; Guzei, I.; Blackwell, H.
04/09/2013
Solution NMR
A Peptoid Ribbon Secondary Structure. (2013) Angew. Chem. Int. Ed. 52: 5079.

13AB1-6-C

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Cyclic Octamer Nanotube (Reversible Water Loading)

Vollrath, S.; Hu, C.; Brase, S.; Kirshenbaum, K.
02/12/2013
X-Ray Diffraction
Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-crystal transformations. (2013) Chem. Commun. 49, 2317-2319.

13AA3-6-C

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N-Methoxyethyl Cyclic Hexamer

Izzo, I.; Ianniello, G.; De Cola, C.; Nardone, B.; Erra, L.; Vaughan, G.; Tedesco, C.; De Riccardis, F.
01/18/2013
X-Ray Diffraction
Structural Effects of Proline Substitution and Metal Binding on Hexameric Cyclic Peptoids. (2013) Org. Lett. 15(3): 598-601.

13AA2-6-C

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N-Methoxyethyl Cyclic Hexamer Sodium Complex

13AA1-6-C

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Proline Substituted Cyclic Hexamer Sodium Complex

12AC2-9-C

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(S)-N-(1-Phenylethyl) Cyclic Nonamer

Butterfoss, G. L.; Yoo, B.; Jaworski, J. N.; Chorny, I.; Dill, K. A.; Zuckermann, R.; Bonneau, R.; Kirshenbaum, K.; Voelz, V. A.
07/12/2012
X-Ray Diffraction
De novo structure prediction and experimental characterization of folded peptoid oligomers. (2012) Proc. Natl. Acad. Sci. USA. 109(36): 14320-14325.

12AC1-3-A

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Phenylethyl Linear Trimer

12AB2-16-M

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Multicyclic Hexadecamer (Doubly-Crosslinked Cyclic Octamers)

Vollrath, S. B. L.; Brase, S.; Kirshenbaum, K.
06/18/2012
X-Ray Diffraction
Twice Tied Tight: Enforcing Conformational Order in Bicyclic Peptoid Oligomers. (2012) Chemical Science 3: 2726-2731.

12AB1-8-M

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Bicyclic Octamer (Two Conformers)

Vollrath, S. B. L.; Brase, S.; Kirshenbaum, K.
06/18/2012
X-Ray Diffraction
Twice Tied Tight: Enforcing Conformational Order in Bicyclic Peptoid Oligomers. (2012) Chemical Science 3: 2726-2731.

12AA2-6-C

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N-Aryl/N-Alkyl Cyclic Hexamer Atropisomer

Paul, B.; Butterfoss, G.; Boswell, G.; Huang, M.; Bonneau, R.; Wolf, C.; Kirshenbaum, K.
01/24/2012
X-Ray Diffraction
N-Napthyl Peptoid Foldamers Exhibiting Atropisomerism. (2012) Org. Lett. 14: 926-929.

12AA1-2-A

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N-Aryl/N-Alkyl Linear Dimer Atropisomer

11AD3-4-A

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N-1-Naphthylethyl Helical Tetramer

Stringer, J. R.; Crapster, J. A.; Guzei, I. A.; Blackwell, H. E.
08/24/2011
X-Ray Diffraction
Extrordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains. (2011) J. Am. Chem. Soc. 133: 15559-15567.

11AD2-3-A

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N-1-Naphthylethyl Linear Trimer

11AD1-2-A

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N-1-Naphthylethyl Linear Dimer

11AC3-3-A

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N-Aryl Linear Trimer Enanotiomeric Pair

Paul, B.; Butterfoss, G. L.; Boswell, M. G.; Renfrew, P. D.; Yeung, F. G.; Shah, N. H.; Wolf, C.; Bonneau, R.; Kirshenbaum, K.
06/02/2011
X-Ray Diffraction
Peptoid Atropisomers. (2011) J. Am. Chem. Soc. 133: 10910-10919.

11AC2-2-A

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N-Aryl Linear Dimer Atropisomers

11AC1-2-A

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N-Aryl Linear Dimer Atropisomers

11AB1-8-C

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Cyclic α,β-Peptoid Octamer

De Santis, E.; Hjelmgaard, T.; Faure, S.; Roy, O.; Didierjean, C.; Alexander, B. D.; Siligardi, G.; Hussain, R.; Javorfi, T.; Edwards, A. A.; Taillefumier, C.
04/02/2011
X-Ray Diffraction
Cyclic α,β-peptoid octamers with differing side chain patterns: synthesis and conformational investigation. (2011) Amino Acids. 41: 663-672.

11AA2-3-A

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N-Hydroxy Amide Linear Trimer

Crapster, J. A.; Stringer, J. R.; Guzei, I. A.; Blackwell, H. E.
02/03/2011
X-Ray Diffraction
Design and Conformational Analysis of Peptoids Containing N-Hydroxy Amides Reveals a Unique Sheet-Like Secondary Structure. (2011) Biopolymers. 96: 604-616.

11AA1-2-A

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N-Hydroxy Amide Linear Dimer

10AA1-3-A

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ortho-Substituted N-Aryl Linear Trimer

Stringer, J. R.; Crapster, J. A.; Guzei, I. A.; Blackwell, H. E.
08/19/2010
X-Ray Diffraction
Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding. (2010) J. Org. Chem. 75: 6068-6078.

08AC2-2-A

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N-Aryl Linear Dimer

Shah, N.; Butterfoss, G.; Nguyen, K.; Yoo, B.; Bonneau, R.; Rabenstein, D.; Kirshenbaum, K.
11/17/2008
X-Ray Diffraction
Oligo(N-aryl glycines): A New Twist on Structured Peptoids. (2008) J. Am. Chem. Soc. 130: 16622-16632.

08AC1-6-C

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N-Aryl/N-Alkyl Cyclic Hexamer

08AB2-4-C

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N-Benzyloxyethyl Cyclic Tetramer

Maulucci, N.; Izzo, I.; Bifulco, G.; Aliberti, A.; De Cola, C.; Comegna, D.; Gaeta, C.; Napolitano, A.; Pizza, C.; Tedesco, C.; Flot, D.; De Riccardis, F.
07/03/2008
X-Ray Diffraction
Synthesis, structures, and properties of nine-, twelve-, and eighteen- membered N-benzyloxyethyl cyclic α-peptoids. (2008) Chem. Comm. 33: 3927-3929.

08AB1-6-C

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N-Benzyloxyethyl Cyclic Hexamer Strontium Picrate Complex

08AA1-4-C

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Cyclic β-Peptoid Tetramer (propargyl side chains)

Roy, O.; Faure, S.; Thery, V.; Didierjean, C.; Taillefumier, C.
02/06/2008
X-Ray Diffraction
Cyclic β-Peptoids. (2008) Org. Lett. 10: 921-924.

Microsoft Word - ja066960o-3_word2000.doc

07AA2-8-C

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N-Alkyl Cyclic Octamer

Shin, S.; Yoo, B.; Todaro, L. J.; Kirshenbaum, K.
02/27/2007
X-Ray Diffraction
Cyclic Peptoids. (2007) J. Am. Chem. Soc. 129: 3218-3225.

07AA1-6-C

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N-Alkyl Cyclic Hexamer

Shin, S.; Yoo, B.; Todaro, L. J.; Kirshenbaum, K.
02/27/2007
X-Ray Diffraction
Cyclic Peptoids. (2007) J. Am. Chem. Soc. 129: 3218-3225.

06AA1-9-A

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Threaded Loop Nonamer (α-chiral aromatic side chains)

Huang, K., Wu, C.W., Sanborn, T.J., Patch, J.A., Kirshenbaum, K., Zuckermann, R.N., Barron, A.E., Radhakrishnan, I.
01/14/2006
Solution NMR
A threaded loop conformation adopted by a family of peptoid nonamers. (2006) J. Am. Chem. Soc. 128: 1733-1738.

03AA1-5-A

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Polyproline Type I-Like Pentamer (α-chiral aliphatic side chains)

Wu, C.W.; Kirshenbaum, K.; Sanborn, T.J.; Patch, J.A.; Huang, K.; Dill, K.A.; Zuckermann, R.N.; Barron, A.E.
10/11/2003
X-Ray Diffraction
Structural and spectroscopic studies of peptoid oligomers with a-chiral aliphatic side chains. (2003) J. Am. Chem. Soc. 125: 13525-13530.