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.
NSPNIFGQWM, lacton linkage between S2 and M10
| Quorumpeps moleculeID | 26 |
| SMILES | O=C(N)CC(N)C(=O)NC1C(=O)N5C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC1)CCSC)Cc3c2ccccc2nc3)CCC(=O)N)Cc4ccccc4)C(C)CC)CC(=O)N)CCC5 |
| Molecular formula | C54H74N14O14S |
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