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Additional structural descriptors include the InChIKey ZRZROXNBKJAOKB-GFVHOAGBSA-N and the isomeric SMILES CC(C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N, which together allow unambiguous cross-referencing across cheminformatics databases and internal LIMS records