Quorumpeps Molecule

Quorumpeps®
Download optimized .hin file.

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.
DSVCASY(D)F, thiolacton linkage between C4 and F8
Quorumpeps moleculeID | 338 |
SMILES | O=C(O)CC(N)C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)SC1)Cc2ccccc2)Cc3ccc(O)cc3)CO)C)C(C)C)CO |
Molecular formula | C39H52N8O13S |




