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.
KW(farnesyl)PPIE
| Quorumpeps moleculeID | 302 |
| SMILES | O=C(O)C(NC(=O)C(NC(=O)C5N(C(=O)C4N(C(=O)C2N(C(=O)C(N)CCCCN)C3Nc1ccccc1C3(C2)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CCC4)CCC5)C(C)CC)CCC(=O)O |
| Molecular formula | C53H80N8O9 |
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