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Beta-proline homodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units, Z conformation
Authors
Mantsyzov, A.B., Polshakov, V.I., Kudryavtsev, K.V.
Assembly
Beta-Proline dimer
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 43, 13C: 36 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111UVRCC174.7480.009
211UVRC1C134.1470.009
311UVRC21C127.7600.009
411UVRC31C125.4450.009
511UVRC4C127.2500.009
611UVRC32C132.0870.009
711UVRC22C129.4720.009
811UVRCAC62.4620.009
911UVRCBC45.0170.009
1011UVRCDC59.4290.009
1111UVRCEC172.2860.009
1211UVRCGC35.9460.009
1311UVRCZC52.2880.009
1411UVRH3H7.3480.004
1511UVRH4H7.3760.004
1611UVRH5H7.5660.004
1711UVRH6H7.6480.004
1811UVRHAH4.0520.004
1911UVRHBH3.0210.004
2011UVRHDH3.9960.004
2111UVRHG1H2.4860.004
2211UVRHG2H2.2630.004
2311UVRHZ1H3.7840.0041
2411UVRHZ2H3.7840.0041
2511UVRHZ3H3.7840.0041
2612UVRCC169.5570.009
2712UVRC1C136.4060.009
2812UVRC21C126.5460.009
2912UVRC31C125.6190.009
3012UVRC4C127.6350.009
3112UVRC32C132.0830.009
3212UVRC22C129.3520.009
3312UVRCAC59.8780.009
3412UVRCBC49.1580.009
3512UVRCDC59.5210.009
3612UVRCEC170.9700.009
3712UVRCGC31.2000.009
3812UVRCZC52.1980.009
3912UVRH3H7.5390.004
4012UVRH4H7.2330.004
4112UVRH5H6.8970.004
4212UVRH6H7.3310.004
4312UVRHAH5.4920.004
4412UVRHBH3.3810.004
4512UVRHDH4.5320.004
4612UVRHG1H2.3310.004
4712UVRHG2H2.2650.004
4812UVRHZ1H3.7590.0041
4912UVRHZ2H3.7590.0041
5012UVRHZ3H3.7590.0041
5112UVRCM1C74.8010.009
5212UVRCM2C46.4810.009
5312UVRCM3C23.1400.009
5412UVRCM4C33.8110.009
5512UVRCM5C30.9250.009
5612UVRCM6C39.6570.009
5712UVRCM7C21.6760.009
5812UVRCM8C26.0420.009
5912UVRCM9C20.5170.009
6012UVRCM10C16.0550.009
6112UVRH1H4.2360.004
6212UVRH2H1.0930.004
6312UVRH31H1.5090.004
6412UVRH32H0.8250.004
6512UVRH41H1.5230.004
6612UVRH42H0.6830.004
6712UVRHM5H1.1770.004
6812UVRH61H1.1720.004
6912UVRH62H0.3860.004
7012UVRH71H0.7300.0041
7112UVRH72H0.7300.0041
7212UVRH73H0.7300.0041
7312UVRH8H1.4830.004
7412UVRH91H0.7460.0041
7512UVRH92H0.7460.0041
7612UVRH93H0.7460.0041
7712UVRH101H0.5300.0041
7812UVRH102H0.5300.0041
7912UVRH103H0.5300.0041

Release date
2016-07-04
Citation 1
Control of Azomethine Cycloaddition Stereochemistry by CF3 Group: Structural Diversity of Fluorinated β-Proline Dimers
Kudryavtsev, K.B., Mantsyzov, A.M., Ivantcova, P.V., Sokolov, M.B., Churakov, A., Brase, S., Zefirov, N.S., Polshakov, V.I.
Org. Lett. (2016), 18, 4698-4701, PubMed 27574905 , DOI 10.1021/acs.orglett.6b02327 ,
Citation 2
Structural studies and anticancer activity of a novel class of β-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 25408436 , DOI 10.1002/asia.201403171 ,
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: 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.
  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