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.
KYNPCANYL, thiolacton linkage between C5 and L9
| Quorumpeps moleculeID | 127 |
| SMILES | O=C(NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)SC2)CC(C)C)Cc3ccc(O)cc3)CC(=O)N)C)CC(=O)N)Cc4ccc(O)cc4)C(N)CCCCN |
| Molecular formula | C49H70N12O13S |
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