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Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZZZ conformation.
Authors
Mantsyzov, A.B., Polshakov, V.I., Kudryavtsev, K.V.
Assembly
Beta-Pro ZZZ
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 59, 13C: 38 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111UVRCC33.2380.009
211UVRC1C139.7510.009
311UVRC21C126.6630.0093
411UVRC22C126.6630.0093
511UVRCAC64.1590.009
611UVRCBC46.4320.009
711UVRCDC58.7770.009
811UVRCEC173.0410.009
911UVRCGC33.2380.009
1011UVRH21H7.3660.0043
1111UVRH22H7.3660.0043
1211UVRH31H7.3270.0043
1311UVRH32H7.3270.0043
1411UVRHAH4.5130.004
1511UVRHBH3.0160.004
1611UVRHDH3.7200.004
1711UVRHG1H1.7880.004
1811UVRHG2H1.9620.004
1911UVRHZ1H3.6450.0041
2011UVRHZ2H3.6450.0041
2111UVRHZ3H3.6450.0041
2212UVRCC166.7920.009
2312UVRC1C138.7650.009
2412UVRC21C126.3010.0093
2512UVRC22C126.3010.0093
2612UVRCAC60.9180.009
2712UVRCBC46.5080.009
2812UVRCDC58.1750.009
2912UVRCEC171.2390.009
3012UVRCGC28.7830.009
3112UVRH21H7.4280.0043
3212UVRH22H7.4280.0043
3312UVRH31H7.2690.0043
3412UVRH32H7.2690.0043
3512UVRHAH5.0070.004
3612UVRHBH2.6820.004
3712UVRHDH3.3160.004
3812UVRHG1H1.5460.004
3912UVRHG2H2.0460.004
4012UVRHZ1H3.5690.0041
4112UVRHZ2H3.5690.0041
4212UVRHZ3H3.5690.0041
4313UVRCC167.3210.009
4413UVRC1C138.2020.009
4513UVRC21C126.6440.0093
4613UVRC22C126.6440.0093
4713UVRCAC61.3290.009
4813UVRCBC46.7660.009
4913UVRCDC59.0290.009
5013UVRCGC29.2760.009
5113UVRH21H7.5950.0043
5213UVRH22H7.5950.0043
5313UVRH31H7.4660.0043
5413UVRH32H7.4660.0043
5513UVRH4H7.3990.004
5613UVRHAH5.5250.004
5713UVRHBH3.2090.004
5813UVRHDH3.3570.004
5913UVRHG1H1.9960.004
6013UVRHG2H1.7430.004
6113UVRHZ1H3.5090.0041
6213UVRHZ2H3.5090.0041
6313UVRHZ3H3.5090.0041
6414UVRCC167.1890.009
6514UVRC1C138.0700.009
6614UVRC21C127.4650.0093
6714UVRC22C127.4650.0093
6814UVRCAC62.0400.009
6914UVRCBC49.3770.009
7014UVRCDC58.5010.009
7114UVRCEC171.2630.009
7214UVRCGC28.1090.009
7314UVRH21H7.7780.0043
7414UVRH22H7.7780.0043
7514UVRH31H7.5190.0043
7614UVRH32H7.5190.0043
7714UVRH4H7.4440.004
7814UVRHAH5.4640.004
7914UVRHBH3.5140.004
8014UVRHDH3.8040.004
8114UVRHG1H2.2880.004
8214UVRHG2H2.1450.004
8314UVRHZ1H3.6290.0041
8414UVRHZ2H3.6290.0041
8514UVRHZ3H3.6290.0041
8614UVRCT1C27.1000.0091
8714UVRCT2C27.1000.0091
8814UVRCT3C27.1000.0091
8914UVRHT11H1.1630.0041
9014UVRHT12H1.1630.0041
9114UVRHT13H1.1630.0041
9214UVRHT21H1.1630.0041
9314UVRHT22H1.1630.0041
9414UVRHT23H1.1630.0041
9514UVRHT31H1.1630.0041
9614UVRHT32H1.1630.0041
9714UVRHT33H1.1630.0041

Release date
2016-05-21
Citation 1
Theoretical and NMR Conformational Studies of β-Proline Oligopeptides With Alternating Chirality of Pyrrolidine Units
Mantsyzov, A.B., Savelyev, O.Y., Ivantcova, P.M., Brase, S., Kudryavtsev, K.V., Polshakov, V.I.
Front. Chem. (2018), 6, 91-91, PubMed 29644215 , DOI 10.3389/fchem.2018.00091 ,
Citation 2
Structural Studies and Anticancer Activity of a Novel Class of beta- Peptides
Kudryavtsev, K.V., Yu, C., Ivantcova, P.M., Polshakov, V.I., Churakov, A.V., Brase, S., Zefirov, N.S., Guh, J.
Chem Asian J (2015), 10, 383-389, PubMed , DOI:
Citation 3
Alternating asymmetric self-induction in functionalized pyrrolidine oligomers
Kudryavtsev, K.V., Ivantcova, P.M., Churakov, A.V., Wiedmann, S., Luy, B., Muhle-Goll, C., Zefirov, N.S., Brase, S.
Angew. Chem Int Ed Engl. (2013), 52, 12736-12740, PubMed 24123659 , DOI 10.1002/anie.201302862 ,
Entries sharing articles BMRB: 9 entries Detail
  BMRB: 21072 released on 2016-07-05
    Title Beta-proline alternating heterodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units, E conformation
  BMRB: 21073 released on 2016-07-05
    Title Beta-proline alternating heterodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units, Z conformation
  BMRB: 21070 released on 2016-07-04
    Title Beta-proline homodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units
  BMRB: 21071 released on 2016-07-04
    Title Beta-proline homodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units, Z conformation
  BMRB: 21068 released on 2016-05-22
    Title Beta-proline alternating homopentamer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZZEZ conformation.
  BMRB: 21069 released on 2016-05-22
    Title Beta-proline alternating homopentamer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZZ conformation.
  BMRB: 21064 released on 2016-05-21
    Title Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. EZZ conformation.
  BMRB: 21066 released on 2016-05-21
    Title Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZ conformation.
  BMRB: 21067 released on 2016-05-21
    Title Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZZE conformation.
Experiments performed 6 experiments Detail
Keywords beta-peptide, beta-proline, prostate cancer