)))
New to the Repository? Check the Settings and Preparation guide. Starting your research? Review our How to provide data instructions. Learn more in How-To section, and feel free to reach out via or
Click to enable zooming
This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C25H33N5O5
Canonical SMILES: OC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(C)C
InChI: InChI=1S/C25H33N5O5/c1-14(2)10-19-25(35)30-9-5-8-21(30)24(34)29-20(13-31)23(33)27-18(22(32)28-19)11-15-12-26-17-7-4-3-6-16(15)17/h3-4,6-7,12,14,18-21,26,31H,5,8-11,13H2,1-2H3,(H,27,33)(H,28,32)(H,29,34)/t18-,19-,20-,21+/m0/s1
InChIKey: GUYNEJRKDRZDDG-XSDIEEQYSA-N
Exact Mass:
Crosslinks: 
Published on 2021-09-23
mass spectrometry (MS)
Author: Claudine Herlan1
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets