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Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZ conformation.
Authors
Mantsyzov, A.B., Polshakov, V.I., Kudryavtsev, K.V.
Assembly
Beta-Pro ZEZ
Exptl. method
SOLUTION NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 57, 13C: 37 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111UVRCC170.1360.009
211UVRC21C126.4900.0093
311UVRC22C126.4900.0093
411UVRCAC62.9150.009
511UVRCBC46.9170.009
611UVRCDC58.5500.009
711UVRCGC32.2210.009
811UVRH21H7.1830.0043
911UVRH22H7.1830.0043
1011UVRH31H7.2560.0043
1111UVRH32H7.2560.0043
1211UVRHAH4.4650.004
1311UVRHBH2.8700.004
1411UVRHDH3.6580.004
1511UVRHG1H2.0170.004
1611UVRHG2H1.6860.004
1711UVRHZ1H3.6340.0041
1811UVRHZ2H3.6340.0041
1911UVRHZ3H3.6340.0041
2012UVRCC167.4600.009
2112UVRC1C138.5460.009
2212UVRC21C127.1460.0093
2312UVRC22C127.1460.0093
2412UVRC31C127.1760.0093
2512UVRC32C127.1760.0093
2612UVRCAC61.9450.009
2712UVRCBC46.5040.009
2812UVRCDC57.7540.009
2912UVRCGC29.8810.009
3012UVRH21H7.6480.0043
3112UVRH22H7.6480.0043
3212UVRH31H6.9730.0043
3312UVRH32H6.9730.0043
3412UVRHAH5.2420.004
3512UVRHBH3.1370.004
3612UVRHDH3.3260.004
3712UVRHG1H1.9710.004
3812UVRHG2H1.9200.004
3912UVRHZ1H3.5820.0041
4012UVRHZ2H3.5820.0041
4112UVRHZ3H3.5820.0041
4213UVRCC170.1700.009
4313UVRC1C138.5610.009
4413UVRC21C127.3120.0093
4513UVRC22C127.3120.0093
4613UVRCAC64.6370.009
4713UVRCBC44.5550.009
4813UVRCDC60.1380.009
4913UVRCEC173.0700.009
5013UVRCGC31.7200.009
5113UVRH21H7.3950.0043
5213UVRH22H7.3950.0043
5313UVRH31H7.7450.0043
5413UVRH32H7.7450.0043
5513UVRHAH5.2660.004
5613UVRHBH3.1070.004
5713UVRHDH5.1750.004
5813UVRHG1H2.1960.004
5913UVRHG2H2.3790.004
6013UVRHZ1H3.8490.0041
6113UVRHZ2H3.8490.0041
6213UVRHZ3H3.8490.0041
6314UVRCC166.8820.009
6414UVRC1C137.7270.009
6514UVRC21C127.8070.0093
6614UVRC22C127.8070.0093
6714UVRCAC61.4810.009
6814UVRCBC48.8030.009
6914UVRCDC58.0820.009
7014UVRCGC27.4790.009
7114UVRH21H7.5650.0043
7214UVRH22H7.5650.0043
7314UVRH31H7.3390.0043
7414UVRH32H7.3390.0043
7514UVRHAH4.7310.004
7614UVRHBH2.3350.004
7714UVRHDH3.4510.004
7814UVRHG1H2.0070.004
7914UVRHG2H1.9260.004
8014UVRHZ1H3.5850.0041
8114UVRHZ2H3.5850.0041
8214UVRHZ3H3.5850.0041
8314UVRCT1C26.9990.0091
8414UVRCT2C26.9990.0091
8514UVRCT3C26.9990.0091
8614UVRHT11H1.0980.0041
8714UVRHT12H1.0980.0041
8814UVRHT13H1.0980.0041
8914UVRHT21H1.0980.0041
9014UVRHT22H1.0980.0041
9114UVRHT23H1.0980.0041
9214UVRHT31H1.0980.0041
9314UVRHT32H1.0980.0041
9414UVRHT33H1.0980.0041

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: 21065 released on 2016-05-21
    Title Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZZZ 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