2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester (FRG) Summary
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- 2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester (FRG) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | N.1-C.2-N.4-C.54-3-1-0 N.5-C.4-N.2-C.1 | -167.19 | Flexible |
| 2 | N.1-C.2-N.4-C.65-3-1-0 N.6-C.4-N.2-C.1 | 32.862 | Flexible |
| 3 | C.2-N.4-C.5-C.98-4-3-1 C.9-N.5-C.4-C.2 | -111.658 | Rigid |
| 4 | C.2-N.4-C.6-C.76-5-3-1 C.7-N.6-C.4-C.2 | 122.965 | Rigid |
| 5 | N.3-C.2-N.4-C.54-3-1-2 N.5-C.4-N.2-C.3 | 15.17 | Flexible |
| 6 | N.3-C.2-N.4-C.65-3-1-2 N.6-C.4-N.2-C.3 | -144.777 | Flexible |
| 7 | N.4-C.5-C.9-C.87-8-4-3 N.8-C.9-C.5-C.4 | -58.042 | Rigid Ring |
| 8 | N.4-C.5-C.9-C.109-8-4-3 N.10-C.9-C.5-C.4 | -179.796 | Rigid |
| 9 | N.4-C.6-C.7-C.87-6-5-3 N.8-C.7-C.6-C.4 | 37.582 | Rigid Ring |
| 10 | C.5-N.4-C.6-C.76-5-3-4 C.7-N.6-C.4-C.5 | -37.873 | Rigid Ring |
| 11 | C.5-C.9-C.8-C.76-7-8-4 C.7-C.8-C.9-C.5 | 56.169 | Rigid Ring |
| 12 | C.5-C.9-C.10-C.1110-9-8-4 C.11-C.10-C.9-C.5 | 178.643 | Flexible |
| 13 | C.6-N.4-C.5-C.98-4-3-5 C.9-N.5-C.4-C.6 | 49.418 | Rigid Ring |
| 14 | C.6-C.7-C.8-C.98-7-6-5 C.9-C.8-C.7-C.6 | -47.798 | Rigid Ring |
| 15 | C.7-C.8-C.9-C.109-8-7-6 C.10-C.9-C.8-C.7 | 177.873 | Rigid |
| 16 | C.8-C.9-C.10-C.1110-9-8-7 C.11-C.10-C.9-C.8 | 57.632 | Flexible |
| 17 | C.9-C.10-C.11-O.1211-10-9-8 C.12-C.11-C.10-O.9 | 63.409 | Flexible |
| 18 | C.9-C.10-C.11-N.1312-10-9-8 C.13-C.11-C.10-N.9 | -114.049 | Flexible |
| 19 | C.10-C.11-N.13-C.1413-12-10-9 C.14-C.13-N.11-C.10 | -174.922 | Rigid |
| 20 | C.11-N.13-C.14-C.1514-13-12-10 C.15-N.14-C.13-C.11 | -83.137 | Flexible |
| 21 | C.11-N.13-C.14-C.1918-13-12-10 C.19-N.14-C.13-C.11 | 149.649 | Flexible |
| 22 | O.12-C.11-N.13-C.1413-12-10-11 O.14-C.13-N.11-C.12 | 7.677 | Rigid |
| 23 | N.13-C.14-C.15-O.1615-14-13-12 N.16-C.15-C.14-O.13 | 146.759 | Flexible |
| 24 | N.13-C.14-C.15-O.1716-14-13-12 N.17-C.15-C.14-O.13 | -37.431 | Flexible |
| 25 | N.13-C.14-C.19-C.2019-18-13-12 N.20-C.19-C.14-C.13 | -53.769 | Flexible |
| 26 | C.14-C.15-O.17-C.1817-16-14-13 C.18-C.17-O.15-C.14 | -170.185 | Rigid |
| 27 | C.14-C.19-C.20-C.2120-19-18-13 C.21-C.20-C.19-C.14 | 105.863 | Flexible |
| 28 | C.14-C.19-C.20-C.2322-19-18-13 C.23-C.20-C.19-C.14 | -77.969 | Flexible |
| 29 | C.15-C.14-C.19-C.2019-18-13-14 C.20-C.19-C.14-C.15 | 177.18 | Flexible |
| 30 | O.16-C.15-C.14-C.1918-13-14-15 O.19-C.14-C.15-C.16 | -86.175 | Flexible |
| 31 | O.16-C.15-O.17-C.1817-16-14-15 O.18-C.17-O.15-C.16 | 5.5 | Rigid |
| 32 | O.17-C.15-C.14-C.1918-13-14-16 O.19-C.14-C.15-C.17 | 89.635 | Flexible |
| 33 | C.19-C.20-C.21-C.2221-20-19-18 C.22-C.21-C.20-C.19 | 177.158 | Rigid |
| 34 | C.19-C.20-C.23-C.2423-22-19-18 C.24-C.23-C.20-C.19 | -177.754 | Rigid |
| 35 | C.20-C.21-C.22-C.2524-21-20-19 C.25-C.22-C.21-C.20 | 0.225 | Rigid Ring |
| 36 | C.20-C.23-C.24-C.2524-23-22-19 C.25-C.24-C.23-C.20 | 0.782 | Rigid Ring |
| 37 | C.21-C.20-C.23-C.2423-22-19-20 C.24-C.23-C.20-C.21 | -1.486 | Rigid Ring |
| 38 | C.21-C.22-C.25-C.2423-24-21-20 C.24-C.25-C.22-C.21 | -0.937 | Rigid Ring |
| 39 | C.21-C.22-C.25-C.2625-24-21-20 C.26-C.25-C.22-C.21 | 179.887 | Rigid |
| 40 | C.22-C.21-C.20-C.2322-19-20-21 C.23-C.20-C.21-C.22 | 0.989 | Rigid Ring |
| 41 | C.22-C.25-C.24-C.2322-23-24-21 C.23-C.24-C.25-C.22 | 0.441 | Rigid Ring |
| 42 | C.22-C.25-C.26-C.2726-25-24-21 C.27-C.26-C.25-C.22 | 147.662 | Flexible |
| 43 | C.23-C.24-C.25-C.2625-24-23-22 C.26-C.25-C.24-C.23 | 179.64 | Rigid |
| 44 | C.24-C.25-C.26-C.2726-25-24-23 C.27-C.26-C.25-C.24 | -31.513 | Flexible |
| 45 | C.25-C.26-C.27-C.2827-26-25-24 C.28-C.27-C.26-C.25 | -60.603 | Flexible |
| 46 | C.26-C.27-C.28-C.2928-27-26-25 C.29-C.28-C.27-C.26 | -9.598 | Flexible |
| 47 | C.26-C.27-C.28-C.3130-27-26-25 C.31-C.28-C.27-C.26 | 170.904 | Flexible |
| 48 | C.27-C.28-C.29-C.3029-28-27-26 C.30-C.29-C.28-C.27 | -179.437 | Rigid |
| 49 | C.27-C.28-C.31-C.3231-30-27-26 C.32-C.31-C.28-C.27 | 179.564 | Rigid |
| 50 | C.28-C.29-C.30-C.3332-29-28-27 C.33-C.30-C.29-C.28 | 0.234 | Rigid Ring |
| 51 | C.28-C.31-C.32-C.3332-31-30-27 C.33-C.32-C.31-C.28 | -0.505 | Rigid Ring |
| 52 | C.29-C.28-C.31-C.3231-30-27-28 C.32-C.31-C.28-C.29 | 0.065 | Rigid Ring |
| 53 | C.29-C.30-C.33-C.3231-32-29-28 C.32-C.33-C.30-C.29 | -0.675 | Rigid Ring |
| 54 | C.30-C.29-C.28-C.3130-27-28-29 C.31-C.28-C.29-C.30 | 0.071 | Rigid Ring |
| 55 | C.30-C.33-C.32-C.3130-31-32-29 C.31-C.32-C.33-C.30 | 0.815 | Rigid Ring |
Dihedrals Histogram