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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: C33H38ClN5O4
Canonical SMILES: NCCCCN1CC(=O)N(CC(=O)N[C@H](C(=O)N(CC1=O)Cc1ccc(cc1)Cl)Cc1ccccc1)Cc1ccccc1
InChI: InChI=1S/C33H38ClN5O4/c34-28-15-13-27(14-16-28)21-39-24-31(41)37(18-8-7-17-35)23-32(42)38(20-26-11-5-2-6-12-26)22-30(40)36-29(33(39)43)19-25-9-3-1-4-10-25/h1-6,9-16,29H,7-8,17-24,35H2,(H,36,40)/t29-/m0/s1
InChIKey: UPMQNWKRPRCIKT-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