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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: C27H36N4O4
Canonical SMILES: C=CCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC(=O)N2[C@@H](C1=O)CCC2)C1CCCCC1
InChI: InChI=1S/C27H36N4O4/c1-2-15-29-18-24(32)28-22(17-20-10-5-3-6-11-20)26(34)31(21-12-7-4-8-13-21)19-25(33)30-16-9-14-23(30)27(29)35/h2-3,5-6,10-11,21-23H,1,4,7-9,12-19H2,(H,28,32)/t22-,23+/m0/s1
InChIKey: QVAADPPLQSWGQE-XZOQPEGZSA-N
Exact Mass:
Crosslinks: 
Published on 2020-06-12
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