(4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide (BZU) Summary
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- (4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide (BZU) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | N.1-C.2-C.3-C.43-2-1-0 N.4-C.3-C.2-C.1 | 37.369 | Flexible Ring |
| 2 | N.1-C.2-C.3-N.1211-2-1-0 N.12-C.3-C.2-N.1 | 159.993 | Flexible |
| 3 | N.1-S.6-C.5-C.43-4-5-0 N.4-S.5-C.6-C.1 | -21.331 | Rigid Ring |
| 4 | N.1-S.6-C.5-S.76-4-5-0 N.7-S.5-C.6-S.1 | 156.897 | Rigid Ring |
| 5 | N.1-C.17-C.18-O.1918-17-16-0 N.19-C.18-C.17-O.1 | 178.695 | Flexible |
| 6 | C.2-N.1-S.6-C.54-5-0-1 C.5-N.6-S.1-C.2 | 51.909 | Flexible Ring |
| 7 | C.2-N.1-S.6-O.1514-5-0-1 C.15-N.6-S.1-O.2 | -61.801 | Flexible |
| 8 | C.2-N.1-S.6-O.1615-5-0-1 C.16-N.6-S.1-O.2 | 167.596 | Flexible |
| 9 | C.2-N.1-C.17-C.1817-16-0-1 C.18-N.17-C.1-C.2 | -67.625 | Flexible |
| 10 | C.2-C.3-C.4-C.54-3-2-1 C.5-C.4-C.3-C.2 | -5.077 | Flexible Ring |
| 11 | C.2-C.3-C.4-C.98-3-2-1 C.9-C.4-C.3-C.2 | 177.743 | Flexible Ring |
| 12 | C.2-C.3-N.12-C.1312-11-2-1 C.13-C.12-N.3-C.2 | 64.175 | Flexible |
| 13 | C.3-C.4-C.5-S.65-4-3-2 C.6-C.5-C.4-S.3 | 0.027 | Rigid Ring |
| 14 | C.3-C.4-C.5-S.76-4-3-2 C.7-C.5-C.4-S.3 | -178.348 | Rigid Ring |
| 15 | C.3-C.4-C.9-C.87-8-3-2 C.8-C.9-C.4-C.3 | 178.709 | Rigid Ring |
| 16 | C.3-N.12-C.13-C.1413-12-11-2 C.14-N.13-C.12-C.3 | 174.556 | Flexible |
| 17 | C.4-C.3-N.12-C.1312-11-2-3 C.13-C.12-N.3-C.4 | -170.494 | Flexible |
| 18 | C.4-C.5-S.6-O.1514-5-4-3 C.15-C.6-S.5-O.4 | 92.885 | Rigid |
| 19 | C.4-C.5-S.6-O.1615-5-4-3 C.16-C.6-S.5-O.4 | -136.675 | Rigid |
| 20 | C.4-C.5-S.7-C.87-6-4-3 C.8-C.7-S.5-C.4 | 0.202 | Rigid Ring |
| 21 | C.4-C.9-C.8-S.76-7-8-3 C.7-C.8-C.9-S.4 | -1.081 | Rigid Ring |
| 22 | C.4-C.9-C.8-S.109-7-8-3 C.10-C.8-C.9-S.4 | -177.491 | Rigid |
| 23 | C.5-C.4-C.3-N.1211-2-3-4 C.12-C.3-C.4-N.5 | -127.11 | Flexible |
| 24 | C.5-C.4-C.9-C.87-8-3-4 C.8-C.9-C.4-C.5 | 1.209 | Rigid Ring |
| 25 | C.5-S.7-C.8-C.98-7-6-4 C.9-S.8-C.7-C.5 | 0.515 | Rigid Ring |
| 26 | C.5-S.7-C.8-S.109-7-6-4 C.10-S.8-C.7-S.5 | 177.21 | Rigid |
| 27 | S.6-N.1-C.2-C.32-1-0-5 S.3-N.2-C.1-C.6 | -65.001 | Flexible Ring |
| 28 | S.6-N.1-C.17-C.1817-16-0-5 S.18-N.17-C.1-C.6 | 83.609 | Flexible |
| 29 | S.6-C.5-C.4-C.98-3-4-5 S.9-C.4-C.5-C.6 | 177.544 | Rigid Ring |
| 30 | S.6-C.5-S.7-C.87-6-4-5 S.8-C.7-S.5-C.6 | -178.172 | Rigid Ring |
| 31 | S.7-C.5-C.4-C.98-3-4-6 S.9-C.4-C.5-C.7 | -0.831 | Rigid Ring |
| 32 | S.7-C.5-S.6-O.1514-5-4-6 S.15-C.6-S.5-O.7 | -88.887 | Rigid |
| 33 | S.7-C.5-S.6-O.1615-5-4-6 S.16-C.6-S.5-O.7 | 41.554 | Rigid |
| 34 | S.7-C.8-S.10-N.1110-9-7-6 S.11-C.10-S.8-N.7 | 118.938 | Flexible |
| 35 | S.7-C.8-S.10-O.2221-9-7-6 S.22-C.10-S.8-O.7 | -129.015 | Flexible |
| 36 | S.7-C.8-S.10-O.2322-9-7-6 S.23-C.10-S.8-O.7 | 0.012 | Flexible |
| 37 | C.9-C.4-C.3-N.1211-2-3-8 C.12-C.3-C.4-N.9 | 55.711 | Flexible |
| 38 | C.9-C.8-S.10-N.1110-9-7-8 C.11-C.10-S.8-N.9 | -64.85 | Flexible |
| 39 | C.9-C.8-S.10-O.2221-9-7-8 C.22-C.10-S.8-O.9 | 47.197 | Flexible |
| 40 | C.9-C.8-S.10-O.2322-9-7-8 C.23-C.10-S.8-O.9 | 176.224 | Flexible |
| 41 | C.17-N.1-C.2-C.32-1-0-16 C.3-N.2-C.1-C.17 | 87.934 | Rigid |
| 42 | C.17-N.1-S.6-C.54-5-0-16 C.5-N.6-S.1-C.17 | -101.119 | Rigid |
| 43 | C.17-N.1-S.6-O.1514-5-0-16 C.15-N.6-S.1-O.17 | 145.171 | Rigid |
| 44 | C.17-N.1-S.6-O.1615-5-0-16 C.16-N.6-S.1-O.17 | 14.567 | Rigid |
| 45 | C.17-C.18-O.19-C.2019-18-17-16 C.20-C.19-O.18-C.17 | 86.479 | Flexible |
| 46 | C.18-O.19-C.20-C.2120-19-18-17 C.21-O.20-C.19-C.18 | -179.76 | Flexible |
Dihedrals Histogram