Mass Spectrometry, Tutorial, Python, Data Analysis, Research.
'CCC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)N', 'CCC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OC'] OK, smiles, nice. But let’s better move on and have a look at how those compounds actually look like (as above, plotted using rdkit): Figure 7.