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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: C33H39N5O4
Canonical SMILES: NCCCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC(=O)N(CC1=O)Cc1ccccc1)Cc1ccccc1
InChI: InChI=1S/C33H39N5O4/c34-18-10-11-19-36-23-30(39)35-29(20-26-12-4-1-5-13-26)33(42)38(22-28-16-8-3-9-17-28)25-32(41)37(24-31(36)40)21-27-14-6-2-7-15-27/h1-9,12-17,29H,10-11,18-25,34H2,(H,35,39)/t29-/m0/s1
InChIKey: HONYLTJZEWJOCQ-LJAQVGFWSA-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