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.
benzyloxycarbonyl-QNSPWIFGAWA, lacton linkage between S3 and A11
Quorumpeps moleculeID | 284 |
SMILES | O=C(N)CCC(NC(=O)CCNC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC2C(=O)N8C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC2)C)Cc4c3ccccc3nc4)C)Cc5ccccc5)C(C)CC)Cc7c6ccccc6nc7)CCC8)CC(=O)N |
Molecular formula | C73H90N16O17 |




