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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: C25H34N4O7
Canonical SMILES: CCC([C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NC(=O)[C@@H]2N(C1=O)CCC2)CCC(=O)O)C
InChI: InChI=1S/C25H34N4O7/c1-3-14(2)21-25(36)29-12-4-5-19(29)24(35)26-17(10-11-20(31)32)22(33)27-18(23(34)28-21)13-15-6-8-16(30)9-7-15/h6-9,14,17-19,21,30H,3-5,10-13H2,1-2H3,(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t14?,17-,18-,19+,21-/m0/s1
InChIKey: XKOXVLDNALOEPV-OPFZVLEESA-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