Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C30H31N5O4/c1-2-14-33-20-28(37)35-15-8-13-26(35)30(39)34(18-21-9-4-3-5-10-21)19-27(36)32-25(29(33)38)16-22-17-31-24-12-7-6-11-23(22)24/h1,3-7,9-12,17,25-26,31H,8,13-16,18-20H2,(H,32,36)/t25-,26+/m0/s1 |
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SMILES | C#CCN1CC(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N[C@H](C1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1 |
InChI Key | JNYGPFMRSWXVCE-IZZNHLLZSA-N |
Molecular Formula | C30H31N5O4 |
Exact Mass | 525.598 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/JNYGPFMRSWXVCE-IZZNHLLZSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JNYGPFMRSWXVCE-IZZNHLLZSA-N/CHMO0000470 |
Version | |
Author | Claudine Herlan |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:02:29.072883 |
MetadataModified | 2024-09-07T20:24:29.680510 |
MetadataPublished | 2021-09-23 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |