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This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C32H39N5O4
Canonical SMILES: CCCCCN1CC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N2[C@@H](C1=O)CCC2)Cc1ccccc1
InChI: InChI=1S/C32H39N5O4/c1-2-3-9-16-36-21-29(38)34-26(19-23-20-33-25-14-8-7-13-24(23)25)30(39)35-27(18-22-11-5-4-6-12-22)31(40)37-17-10-15-28(37)32(36)41/h4-8,11-14,20,26-28,33H,2-3,9-10,15-19,21H2,1H3,(H,34,38)(H,35,39)/t26-,27-,28+/m0/s1
InChIKey: VBDUASDYCCGKQX-HZFUHODCSA-N
Exact Mass:
Crosslinks: 
Published on 2021-09-23
1H--1H correlation spectroscopy (1H-1H COSY)
Author: Claudine Herlan1
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets