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The details of FoldDB ID: fd0931
Chemical diagram
molecule
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Identification
FoldDB ID

fd0931

Three Letter code Help Icon Since there is no uniform representation for the non-natural peptides. The three letter code reported here is as it is mentioned in the original article and/or the external database.

Tfa-[(S)-(aEt)Val]-[(S)-(aEt)Leu]-[(S)-(aEt)Nva]-Deg-[(S)-(aEt)Nle]-OEt

Smiles
Inchi Key

XDZOAXSXWRRZIN-GTKRZRNESA-N

Molecular weight

792.036

Molecular formula

C40H72F3N5O7

Other Name Help Icon Since there is no uniform representation for the non-natural peptides. This is the name as it is mentioned in the original article and/or the external database.

ethyl trifluoroacetyl-(S)-alpha-ethylvalyl-(S)-alpha-ethylleucyl-(S)-alpha,alpha-ethylnorvalyldiethylglycyl-(S)-alpha-ethylnorleucinate

Source

synthetic construct

External ID
Reaxys ID

9540117

Structural Information
Structure reported

yes

Method

NMR, X-ray

NMR Solvent

CDCl3

CCDC Number (solvent)

194813(EtOH/CHCl3)

Reference

fdart0116

Other information
Foldamer type

α Peptide

Other type

α-ethylated α,α-disubstituted α-amino acids

Structure Type

helical

Calculated properties
LogP

7.06400

Rotatable Bonds

32

H Bond Donor

5

H Bond Acceptor

12

Polar Surface Area (PSA)

171.80000

Activity
Activity not reported
Citations
ID Title Year Authors Journal DOI

fdart0116

An Extended Planar C5 Conformation and a 310-Helical Structure of Peptide Foldamer Composed of Diverse α-Ethylated α,α-Disubstituted α-Amino Acids

2003

Tanaka, Masakazu., Nishimura, Shin., Oba, Makoto., Demizu, Yosuke., Kurihara, Masaaki., Suemune, Hiroshi.,

Chemistry - A European Journal

..