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Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZZE conformation.
Authors
Mantsyzov, A.B., Polshakov, V.I., Kudryavtsev, K.V.
Assembly
Beta-Pro ZZE
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 57, 13C: 32 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111UVRCC170.1280.009
211UVRC21C126.3100.0093
311UVRC22C126.3100.0093
411UVRCAC62.7590.009
511UVRCBC46.9950.009
611UVRCDC58.7850.009
711UVRCGC32.5410.009
811UVRH21H7.3440.0043
911UVRH22H7.3440.0043
1011UVRH31H7.3980.0043
1111UVRH32H7.3980.0043
1211UVRHAH4.8150.004
1311UVRHBH2.9640.004
1411UVRHDH3.6490.004
1511UVRHG1H2.1010.004
1611UVRHG2H1.7370.004
1711UVRHZ1H3.8700.0041
1811UVRHZ2H3.8700.0041
1911UVRHZ3H3.8700.0041
2012UVRCC165.9900.009
2112UVRC21C125.8390.0093
2212UVRC22C125.8390.0093
2312UVRCAC60.4670.009
2412UVRCBC47.0710.009
2512UVRCDC57.8400.009
2612UVRCGC28.1570.009
2712UVRH21H7.3530.0043
2812UVRH22H7.3530.0043
2912UVRH31H7.4160.0043
3012UVRH32H7.4160.0043
3112UVRHAH5.3010.004
3212UVRHBH2.6920.004
3312UVRHDH3.0410.004
3412UVRHG1H1.6790.004
3512UVRHG2H2.0190.004
3612UVRHZ1H3.5570.0041
3712UVRHZ2H3.5570.0041
3812UVRHZ3H3.5570.0041
3913UVRCC167.6480.009
4013UVRC21C126.8270.0093
4113UVRC22C126.8270.0093
4213UVRCAC61.8370.009
4313UVRCBC46.7770.009
4413UVRCDC58.5350.009
4513UVRCGC29.5860.009
4613UVRH21H7.3480.0043
4713UVRH22H7.3480.0043
4813UVRH31H7.0420.0043
4913UVRH32H7.0420.0043
5013UVRHAH5.7260.004
5113UVRHBH3.6680.004
5213UVRHDH3.7570.004
5313UVRHG1H2.0580.004
5413UVRHG2H2.2270.004
5513UVRHZ1H3.6830.0041
5613UVRHZ2H3.6830.0041
5713UVRHZ3H3.6830.0041
5814UVRCC168.3730.009
5914UVRC21C128.1880.0093
6014UVRC22C128.1880.0093
6114UVRCAC62.8810.009
6214UVRCBC46.5590.009
6314UVRCDC59.1230.009
6414UVRCEC173.9780.009
6514UVRCGC31.2830.009
6614UVRH21H7.3350.0043
6714UVRH22H7.3350.0043
6814UVRH31H7.2640.0043
6914UVRH32H7.2640.0043
7014UVRHAH5.3690.004
7114UVRHBH3.5110.004
7214UVRHDH5.4100.004
7314UVRHG1H2.7160.004
7414UVRHG2H2.6590.004
7514UVRHZ1H3.8700.0041
7614UVRHZ2H3.8700.0041
7714UVRHZ3H3.8700.0041
7814UVRCT1C26.9240.0091
7914UVRCT2C26.9240.0091
8014UVRCT3C26.9240.0091
8114UVRHT11H1.0480.0041
8214UVRHT12H1.0480.0041
8314UVRHT13H1.0480.0041
8414UVRHT21H1.0480.0041
8514UVRHT22H1.0480.0041
8614UVRHT23H1.0480.0041
8714UVRHT31H1.0480.0041
8814UVRHT32H1.0480.0041
8914UVRHT33H1.0480.0041

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: 21066 released on 2016-05-21
    Title Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZ conformation.
Experiments performed 6 experiments Detail
Keywords beta-peptide, beta-proline, prostate cancer