3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid (GKN) Summary
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- 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid (GKN) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C22.1-C21.2-C18.3-N15.1312-2-1-0 C22.13-C21.3-C18.2-N15.1 | 97.625 | Rigid Ring |
| 2 | C22.1-C18.3-N15.13-C12.1110-12-2-0 C22.11-C18.13-N15.3-C12.1 | 131.357 | Flexible |
| 3 | C21.2-C22.1-C18.3-N15.1312-2-0-1 C21.13-C22.3-C18.1-N15.2 | -102.282 | Rigid Ring |
| 4 | C21.2-C18.3-N15.13-C12.1110-12-2-1 C21.11-C18.13-N15.3-C12.2 | 69.142 | Flexible |
| 5 | C18.3-N15.13-C12.11-C7.109-10-12-2 C18.10-N15.11-C12.13-C7.3 | 178.142 | Rigid |
| 6 | C18.3-N15.13-C12.11-O16.1211-10-12-2 C18.12-N15.11-C12.13-O16.3 | -4.096 | Rigid |
| 7 | C26.4-C25.5-C24.6-C23.2524-5-4-3 C26.25-C25.6-C24.5-C23.4 | 104.431 | Rigid Ring |
| 8 | C26.4-C24.6-C23.25-N19.2423-24-5-3 C26.24-C24.25-C23.6-N19.4 | -63.224 | Flexible |
| 9 | C25.5-C26.4-C24.6-C23.2524-5-3-4 C25.25-C26.6-C24.4-C23.5 | -110.251 | Rigid Ring |
| 10 | C25.5-C24.6-C23.25-N19.2423-24-5-4 C25.24-C24.25-C23.6-N19.5 | -132.082 | Flexible |
| 11 | C24.6-C23.25-N19.24-C17.2221-23-24-5 C24.22-C23.24-N19.25-C17.6 | -81.487 | Flexible |
| 12 | C4.7-C8.8-C13.9-C7.109-8-7-6 C4.10-C8.9-C13.8-C7.7 | -0.588 | Rigid Ring |
| 13 | C4.7-C1.15-C3.14-C7.109-13-14-6 C4.10-C1.14-C3.15-C7.7 | 0.257 | Rigid Ring |
| 14 | C4.7-C1.15-C2.16-C5.1716-15-14-6 C4.17-C1.16-C2.15-C5.7 | -88.026 | Flexible |
| 15 | C4.7-C1.15-C2.16-C6.2120-15-14-6 C4.21-C1.16-C2.15-C6.7 | 97.942 | Flexible |
| 16 | C8.8-C4.7-C1.15-C3.1413-14-6-7 C8.14-C4.15-C1.7-C3.8 | -0.411 | Rigid Ring |
| 17 | C8.8-C4.7-C1.15-C2.1615-14-6-7 C8.16-C4.15-C1.7-C2.8 | 179.941 | Rigid |
| 18 | C8.8-C13.9-C7.10-C12.1110-9-8-7 C8.11-C13.10-C7.9-C12.8 | -179.609 | Rigid |
| 19 | C8.8-C13.9-C7.10-C3.1413-9-8-7 C8.14-C13.10-C7.9-C3.8 | 0.38 | Rigid Ring |
| 20 | C13.9-C8.8-C4.7-C1.1514-6-7-8 C13.15-C8.7-C4.8-C1.9 | 0.595 | Rigid Ring |
| 21 | C13.9-C7.10-C12.11-O16.1211-10-9-8 C13.12-C7.11-C12.10-O16.9 | -166.938 | Flexible |
| 22 | C13.9-C7.10-C12.11-N15.1312-10-9-8 C13.13-C7.11-C12.10-N15.9 | 10.847 | Flexible |
| 23 | C13.9-C7.10-C3.14-C1.1514-13-9-8 C13.15-C7.14-C3.10-C1.9 | -0.231 | Rigid Ring |
| 24 | C7.10-C3.14-C1.15-C2.1615-14-13-9 C7.16-C3.15-C1.14-C2.10 | 179.95 | Rigid |
| 25 | C12.11-C7.10-C3.14-C1.1514-13-9-10 C12.15-C7.14-C3.10-C1.11 | 179.759 | Rigid |
| 26 | O16.12-C12.11-C7.10-C3.1413-9-10-11 O16.14-C12.10-C7.11-C3.12 | 13.073 | Flexible |
| 27 | N15.13-C12.11-C7.10-C3.1413-9-10-12 N15.14-C12.10-C7.11-C3.13 | -169.143 | Flexible |
| 28 | C3.14-C1.15-C2.16-C5.1716-15-14-13 C3.17-C1.16-C2.15-C5.14 | 92.313 | Flexible |
| 29 | C3.14-C1.15-C2.16-C6.2120-15-14-13 C3.21-C1.16-C2.15-C6.14 | -81.719 | Flexible |
| 30 | C1.15-C2.16-C5.17-C10.1817-16-15-14 C1.18-C2.17-C5.16-C10.15 | -177.049 | Rigid |
| 31 | C1.15-C2.16-C6.21-C11.2019-20-15-14 C1.20-C2.21-C6.16-C11.15 | 175.801 | Rigid |
| 32 | C2.16-C5.17-C10.18-C14.1918-17-16-15 C2.19-C5.18-C10.17-C14.16 | 1.759 | Rigid Ring |
| 33 | C2.16-C6.21-C11.20-C14.1918-19-20-15 C2.19-C6.20-C11.21-C14.16 | 0.98 | Rigid Ring |
| 34 | C5.17-C2.16-C6.21-C11.2019-20-15-16 C5.20-C2.21-C6.16-C11.17 | 1.566 | Rigid Ring |
| 35 | C5.17-C10.18-C14.19-C11.2019-18-17-16 C5.20-C10.19-C14.18-C11.17 | 0.774 | Rigid Ring |
| 36 | C5.17-C10.18-C14.19-C17.2221-18-17-16 C5.22-C10.19-C14.18-C17.17 | 175.893 | Rigid |
| 37 | C10.18-C5.17-C2.16-C6.2120-15-16-17 C10.21-C5.16-C2.17-C6.18 | -2.883 | Rigid Ring |
| 38 | C10.18-C14.19-C11.20-C6.2120-19-18-17 C10.21-C14.20-C11.19-C6.18 | -2.102 | Rigid Ring |
| 39 | C10.18-C14.19-C17.22-O20.2322-21-18-17 C10.23-C14.22-C17.19-O20.18 | 158.648 | Flexible |
| 40 | C10.18-C14.19-C17.22-N19.2423-21-18-17 C10.24-C14.22-C17.19-N19.18 | -29.27 | Flexible |
| 41 | C14.19-C17.22-N19.24-C23.2524-23-21-18 C14.25-C17.24-N19.22-C23.19 | -160.785 | Rigid |
| 42 | C11.20-C14.19-C17.22-O20.2322-21-18-19 C11.23-C14.22-C17.19-O20.20 | -26.258 | Flexible |
| 43 | C11.20-C14.19-C17.22-N19.2423-21-18-19 C11.24-C14.22-C17.19-N19.20 | 145.824 | Flexible |
| 44 | C6.21-C11.20-C14.19-C17.2221-18-19-20 C6.22-C11.19-C14.20-C17.21 | -177.622 | Rigid |
| 45 | O20.23-C17.22-N19.24-C23.2524-23-21-22 O20.25-C17.24-N19.22-C23.23 | 11.617 | Rigid |
Dihedrals Histogram