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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: C35H38Cl2N6O4
Canonical SMILES: NCCCC[C@@H]1NC(=O)CN(Cc2ccc(cc2)Cl)C(=O)CN(C(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)Cl
InChI: InChI=1S/C35H38Cl2N6O4/c36-26-12-8-23(9-13-26)19-42-21-32(44)40-30(7-3-4-16-38)34(46)41-31(17-25-18-39-29-6-2-1-5-28(25)29)35(47)43(22-33(42)45)20-24-10-14-27(37)15-11-24/h1-2,5-6,8-15,18,30-31,39H,3-4,7,16-17,19-22,38H2,(H,40,44)(H,41,46)/t30-,31-/m0/s1
InChIKey: LZOOZTYMUCAXSV-CONSDPRKSA-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