Dataset
MS_449.1d
Chemical Info
| InChI | InChI=1S/C21H31N3O3/c1-6-8-11-14-24-16-13-10-9-12-15(16)17(23-24)19(25)22-18(21(3,4)5)20(26)27-7-2/h9-10,12-13,18H,6-8,11,14H2,1-5H3,(H,22,25) |
|---|---|
| SMILES | CCCCCN1N=C(C(=O)NC(C(=O)OCC)C(C)(C)C)C2=CC=CC=C21 |
| InChI Key | HKKKXLZFEZHHFC-UHFFFAOYSA-N |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p84.s716.d3526 |
| License URL | https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode |
| Source | https://nmrxiv.org/D3526 |
| Version | |
| Author | Eva‐Maria Hubner, Martin G. Schmid, Verina Manojlovic, Daniela Gattringer, Eva‐Maria Pferschy‐Wenzig, Olaf Kunert |
| Maintainer | |
| Language | english |
| MetadataCreated | 2025-02-03T17:08:50.707269 |
| MetadataModified | 2025-02-03T17:08:50.707275 |
| MetadataPublished | 2025-01-09 07:49:00 |
| Related Molecule |