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.
TYLFTNS, lacton linkage between T1 and S7, modified at T1
| Quorumpeps moleculeID | 316 |
| SMILES | O=C1OC(C(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CO)CC(=O)N)C(O)C)Cc2ccccc2)CC(C)C)Cc3ccc(O)cc3)C)NC(=O)\C=C\c4ccccc4\C=C/CCC)C |
| Molecular formula | C54H70N8O13 |
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