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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: C51H57N7O6
Canonical SMILES: NCCCCN1CC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChI: InChI=1S/C51H57N7O6/c52-28-16-17-29-55-36-47(60)57(33-42-24-12-4-13-25-42)38-49(62)58(34-43-26-14-5-15-27-43)37-48(61)56(32-41-22-10-3-11-23-41)35-46(59)53-44(30-39-18-6-1-7-19-39)50(63)54-45(51(55)64)31-40-20-8-2-9-21-40/h1-15,18-27,44-45H,16-17,28-38,52H2,(H,53,59)(H,54,63)/t44-,45-/m0/s1
InChIKey: LVXXEPHCGCIRKW-GSVOJQHPSA-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