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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: C33H39N5O5
Canonical SMILES: NCCCCN1CC(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N(CC1=O)Cc1ccccc1)Cc1ccccc1
InChI: InChI=1S/C33H39N5O5/c34-17-7-8-18-37-22-30(40)35-28(19-25-13-15-27(39)16-14-25)32(42)36-29(20-24-9-3-1-4-10-24)33(43)38(23-31(37)41)21-26-11-5-2-6-12-26/h1-6,9-16,28-29,39H,7-8,17-23,34H2,(H,35,40)(H,36,42)/t28-,29-/m0/s1
InChIKey: HYSGWUWCTONTHU-VMPREFPWSA-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