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.
QNHsePNIFGQWM, lacton linkage between HSr3 and M11
| Quorumpeps moleculeID | 72 |
| SMILES | NC(=O)CCC(N)C(=O)NC(CC(N)=O)C(=O)NC4CCOC(=O)C(CCSC)NC(=O)C(Cc2cnc1ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)C(NC(=O)C5CCCN5C4=O)C(C)CC |
| Molecular formula | C56H78N14O14S |
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