Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C28H39N5O4/c1-4-6-11-21-25(34)31-22(15-18-16-29-20-12-8-7-10-19(18)20)26(35)32-24(17(3)5-2)28(37)33-14-9-13-23(33)27(36)30-21/h7-8,10,12,16-17,21-24,29H,4-6,9,11,13-15H2,1-3H3,(H,30,36)(H,31,34)(H,32,35)/t17-,21+,22+,23-,24+/m1/s1
SMILES CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)[C@@H](CC)C
InChI Key WXSNWOUZJPINRH-RNBKDOAQSA-N
Molecular Formula C28H39N5O4
Exact Mass 509.640 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXSNWOUZJPINRH-RNBKDOAQSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/WXSNWOUZJPINRH-RNBKDOAQSA-N/CHMO0001146
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:08:22.029206
MetadataModified 2024-09-07T20:32:08.401707
MetadataPublished 2021-09-23
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
156599673 PubChem
The data in this table is sourced from UniChem at EBI.