Dataset

synthetic peptide amide LDLD[12]

synthetic peptide amide with LDLD configuration dissolved in DMSO-d6 and recorded at 303 K at 600 MHz (1H), 150 MHz (13C)

Chemical Information

molecular Image
InChI InChI=1S/C26H32N6O7/c27-17(11-15-7-3-1-4-8-15)24(37)31-19(12-16-9-5-2-6-10-16)25(38)32-20(14-22(34)35)26(39)30-18(23(29)36)13-21(28)33/h1-10,17-20H,11-14,27H2,(H2,28,33)(H2,29,36)(H,30,39)(H,31,37)(H,32,38)(H,34,35)/t17-,18+,19+,20-/m0/s1
SMILES NC(=O)C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(N)=O
InChI Key CUNFKUBXPYTROU-NMLBUPMWSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p18.s86.d509
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D509
Version
Author
Maintainer
Language english
MetadataPublished 2023-11-30T09:55:03.000000Z
Related Molecule
  • nfdi4chem-mol2579 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : DMSO

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : Z126545_0027 (CPP BBO 600S3 BB-H&F-D-05 Z)

    Temperature : 302.9991 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3

    Spectral Width : [14.0260505291509, 164.832958390402]

    number of data points : 19 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.