Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C31H37N5O4/c1-2-3-13-24-28(37)34-25(18-21-19-32-23-14-8-7-12-22(21)23)29(38)35-26(17-20-10-5-4-6-11-20)31(40)36-16-9-15-27(36)30(39)33-24/h4-8,10-12,14,19,24-27,32H,2-3,9,13,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t24-,25-,26-,27+/m0/s1 |
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SMILES | CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1 |
InChI Key | YWQIDXIQUKYLGZ-YIPNQBBMSA-N |
Molecular Formula | C31H37N5O4 |
Exact Mass | 543.657 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/YWQIDXIQUKYLGZ-YIPNQBBMSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YWQIDXIQUKYLGZ-YIPNQBBMSA-N/CHMO0000595 |
Version | |
Author | Claudine Herlan |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:05:03.913581 |
MetadataModified | 2024-09-07T20:27:51.870942 |
MetadataPublished | 2021-09-23 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |