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.
IACDFLL, thiolacton linkage between C3 and L7
| Quorumpeps moleculeID | 319 |
| SMILES | O=C(O)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)SCC(C(=O)N1)NC(=O)C(NC(=O)C(N)C(C)CC)C)CC(C)C)CC(C)C)Cc2ccccc2 |
| Molecular formula | C37H57N7O9S |
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