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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: C35H40N6O4
Canonical SMILES: NCCCC[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)CN(C(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1
InChI: InChI=1S/C35H40N6O4/c36-18-10-9-17-30-34(44)39-31(19-27-20-37-29-16-8-7-15-28(27)29)35(45)41(22-26-13-5-2-6-14-26)24-33(43)40(23-32(42)38-30)21-25-11-3-1-4-12-25/h1-8,11-16,20,30-31,37H,9-10,17-19,21-24,36H2,(H,38,42)(H,39,44)/t30-,31-/m0/s1
InChIKey: FOCPXTJURBAQTF-CONSDPRKSA-N
Exact Mass:
Crosslinks: 
Published on 2021-05-26
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Author: Claudine Herlan1
1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany
Analysis DOI:
Analysis ID:
Datasets