Quorumpeps Molecule
Quorumpeps®
Download optimized .hin file.
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The geometry optimization was obtained by the molecular mechanics force field method, using the Polak–Ribière conjugate gradient algorithm with a rootmean-square (RMS) gradient of 0.1 kcal/ (Å×mol) as stop criterion using the Hyperchem Professional 8.0 software (Hypercube, Gainesville, FL, USA). The structure can be rotated by dragging the structure; zooming is possible by scrolling on it.
4-(4-benzylphenoxy)butanoic acid-STCAFIM, thiolacton linkage between C3 and M7
| Quorumpeps moleculeID | 202 |
| SMILES | O=C(NC(C(=O)NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)SC1)CCSC)C(C)CC)Cc2ccccc2)C)C(O)C)CO)CCCOc3ccc(cc3)Cc4ccccc4 |
| Molecular formula | C50H67N7O11S2 |
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