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.
benzyloxycarbonyl-QNSANAFGAWA, lacton linkage between S3 and A11
| Quorumpeps moleculeID | 272 |
| SMILES | O=C(OCc1ccccc1)NCCC(=O)NC(C(=O)NC(C(=O)NC2C(=O)NC(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)CC(=O)N)C)CC(=O)N)CCC(=O)N |
| Molecular formula | C61H78N16O18 |
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