BMRB Entry 21086

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21086

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Title:
Beta-proline heterochiral trimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units, ZE conformation
Deposition date:
2019-10-25
Original release date:
2020-06-18
Authors:
Mantsyzov, Alexey; Kudryavtsev, Konstantin; Polshakov, Vladimir
Citation:

Citation: Mantsyzov, Alexey; Sokolov, Mikhail; Ivantcova, Polina; Brase, Stefan; Polshakov, Vladimir; Kudryavtsev, Konstantin. "Interplay of Pyrrolidine Units with Homo/Hetero Chirality and CF3-Aryl Substituents on Secondary Structures of beta-Proline Tripeptides in Solution"  J. Org. Chem. ., .-. (2020).
PubMed: 32526142

Assembly members:

Assembly members:
beta-peptide, polymer, 3 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
beta-peptide: XXX

Data sets:
Data typeCount
13C chemical shifts37
1H chemical shifts46

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1beta-peptide1

Entities:

Entity 1, beta-peptide 3 residues - Formula weight is not available

Residue nomenclature: X [one-letter code] - beta-proline residue with S,S,R configurations for three chiral centres of the beta-peptide ring; Y [one-letter code] - beta-proline residue with R,R,S configurations for three chiral centres of the beta-peptide ring; Z [one-letter code] - beta-proline residue with R,R,S configurations for three chiral centres of the beta-peptide ring and a (+)-menthyl capping group at the C-terminal end.

1   UVRUVRUVR