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.
MDW(Geranyl)HY
| Quorumpeps moleculeID | 67 |
| SMILES | O=C(O)C(Cc1ccc(O)cc1)NC(=O)C(Cc2cncn2)NC(=O)C3CC4(C\C=C(/C)CC\C=C(/C)C)c5ccccc5NC4N3C(=O)C(CC(=O)O)NC(=O)C(N)CCSC |
| Molecular formula | C45H58N8O9S |
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