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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: C51H54Cl3N7O6
Canonical SMILES: NCCCCN1CC(=O)N(Cc2ccc(cc2)Cl)CC(=O)N(Cc2ccc(cc2)Cl)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(cc1)Cl
InChI: InChI=1S/C51H54Cl3N7O6/c52-41-19-13-38(14-20-41)29-59-32-46(62)56-44(27-36-9-3-1-4-10-36)50(66)57-45(28-37-11-5-2-6-12-37)51(67)58(26-8-7-25-55)33-47(63)60(30-39-15-21-42(53)22-16-39)35-49(65)61(34-48(59)64)31-40-17-23-43(54)24-18-40/h1-6,9-24,44-45H,7-8,25-35,55H2,(H,56,62)(H,57,66)/t44-,45-/m0/s1
InChIKey: JMNJVTCCUUBZIL-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