@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/10.57992/nmrxiv.p18.s86.d512> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "synthetic peptide amide with LDLD configuration dissolved in DMSO-d6 and recorded at 303 K at 600 MHz (1H), 150 MHz (13C)" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p18.s86.d512" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p18.s86.d512#sample> ;
    dct:title "synthetic peptide amide LDLD[11]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p18.s86.d512#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p18.s86.d512#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p18.s86.d512#sample> .

<https://doi.org/10.57992/nmrxiv.p18.s86.d512#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CUNFKUBXPYTROU-NMLBUPMWSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "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" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "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" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p18.s86.d512#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p18.s86.d512#sample_compound> ;
    dct:title "evaluated sample" .