[4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin]methyl-2-thiazolylbenzamide (846) Summary
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- [4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin]methyl-2-thiazolylbenzamide (846) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-N2.35-C2.2-C20.87-1-34-0 C1.8-N2.2-C2.35-C20.1 | 132.316 | Flexible |
| 2 | C1.1-N2.35-C3.3-C4.43-2-34-0 C1.4-N2.3-C3.35-C4.1 | -58.181 | Rigid Ring |
| 3 | C1.1-N2.35-C3.3-C31.1817-2-34-0 C1.18-N2.3-C3.35-C31.1 | 78.199 | Rigid |
| 4 | C1.1-N7.36-C6.6-C5.54-5-35-0 C1.5-N7.6-C6.36-C5.1 | -72.613 | Rigid Ring |
| 5 | C1.1-N7.36-C6.6-C61.2524-5-35-0 C1.25-N7.6-C6.36-C61.1 | 61.215 | Rigid |
| 6 | C1.1-N7.36-C7.7-C70.3231-6-35-0 C1.32-N7.7-C7.36-C70.1 | 150.532 | Flexible |
| 7 | C2.2-C20.8-C21.9-C22.109-8-7-1 C2.10-C20.9-C21.8-C22.2 | 177.621 | Rigid |
| 8 | C2.2-C20.8-C25.13-C24.1211-12-7-1 C2.12-C20.13-C25.8-C24.2 | -178.267 | Rigid |
| 9 | C2.2-N2.35-C3.3-C4.43-2-34-1 C2.4-N2.3-C3.35-C4.2 | 129.706 | Rigid |
| 10 | C2.2-N2.35-C3.3-C31.1817-2-34-1 C2.18-N2.3-C3.35-C31.2 | -93.914 | Rigid |
| 11 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | -69.276 | Rigid Ring |
| 12 | C3.3-C4.4-C5.5-O5.4140-4-3-2 C3.41-C4.5-C5.4-O5.3 | 174.228 | Rigid |
| 13 | C3.3-C31.18-C32.19-C33.2019-18-17-2 C3.20-C31.19-C32.18-C33.3 | -114.304 | Flexible |
| 14 | C3.3-C31.18-C32.19-C37.2423-18-17-2 C3.24-C31.19-C32.18-C37.3 | 65.556 | Flexible |
| 15 | C3.3-N2.35-C2.2-C20.87-1-34-2 C3.8-N2.2-C2.35-C20.3 | -55.099 | Flexible |
| 16 | C4.4-C3.3-C31.18-C32.1918-17-2-3 C4.19-C3.18-C31.3-C32.4 | -143.372 | Flexible |
| 17 | C4.4-C5.5-C6.6-C61.2524-5-4-3 C4.25-C5.6-C6.5-C61.4 | -58.356 | Rigid |
| 18 | C4.4-C5.5-C6.6-N7.3635-5-4-3 C4.36-C5.6-C6.5-N7.4 | 72.624 | Rigid Ring |
| 19 | C5.5-C4.4-C3.3-C31.1817-2-3-4 C5.18-C4.3-C3.4-C31.5 | -60.8 | Rigid |
| 20 | C5.5-C4.4-C3.3-N2.3534-2-3-4 C5.35-C4.3-C3.4-N2.5 | 72.463 | Rigid Ring |
| 21 | C5.5-C6.6-C61.25-C62.2625-24-5-4 C5.26-C6.25-C61.6-C62.5 | -159.634 | Flexible |
| 22 | C5.5-C6.6-N7.36-C7.76-35-5-4 C5.7-C6.36-N7.6-C7.5 | 117.706 | Rigid |
| 23 | C6.6-C5.5-C4.4-O4.4039-3-4-5 C6.40-C5.4-C4.5-O4.6 | 172.379 | Rigid |
| 24 | C6.6-C61.25-C62.26-C63.2726-25-24-5 C6.27-C61.26-C62.25-C63.6 | 75.612 | Flexible |
| 25 | C6.6-C61.25-C62.26-C67.3130-25-24-5 C6.31-C61.26-C62.25-C67.6 | -102.061 | Flexible |
| 26 | C6.6-N7.36-C7.7-C70.3231-6-35-5 C6.32-N7.7-C7.36-C70.6 | -39.37 | Flexible |
| 27 | C7.7-C70.32-C71.33-C72.3433-32-31-6 C7.34-C70.33-C71.32-C72.7 | 103.32 | Rigid Ring |
| 28 | C7.7-C70.32-C72.34-C71.3332-33-31-6 C7.33-C70.34-C72.32-C71.7 | -105.972 | Rigid Ring |
| 29 | C7.7-N7.36-C6.6-C61.2524-5-35-6 C7.25-N7.6-C6.36-C61.7 | -108.465 | Rigid |
| 30 | C20.8-C21.9-C22.10-C23.1110-9-8-7 C20.11-C21.10-C22.9-C23.8 | 0.979 | Rigid Ring |
| 31 | C20.8-C21.9-C22.10-C26.1413-9-8-7 C20.14-C21.10-C22.9-C26.8 | -175.694 | Rigid |
| 32 | C20.8-C25.13-C24.12-C23.1110-11-12-7 C20.11-C25.12-C24.13-C23.8 | 0.243 | Rigid Ring |
| 33 | C21.9-C20.8-C2.2-N2.3534-1-7-8 C21.35-C20.2-C2.8-N2.9 | 130.01 | Flexible |
| 34 | C21.9-C20.8-C25.13-C24.1211-12-7-8 C21.12-C20.13-C25.8-C24.9 | -0.101 | Rigid Ring |
| 35 | C21.9-C22.10-C23.11-C24.1211-10-9-8 C21.12-C22.11-C23.10-C24.9 | -0.846 | Rigid Ring |
| 36 | C21.9-C22.10-C26.14-N26.3736-13-9-8 C21.37-C22.14-C26.10-N26.9 | 32.874 | Flexible |
| 37 | C21.9-C22.10-C26.14-O26.4241-13-9-8 C21.42-C22.14-C26.10-O26.9 | -149.926 | Flexible |
| 38 | C22.10-C21.9-C20.8-C25.1312-7-8-9 C22.13-C21.8-C20.9-C25.10 | -0.515 | Rigid Ring |
| 39 | C22.10-C23.11-C24.12-C25.1312-11-10-9 C22.13-C23.12-C24.11-C25.10 | 0.237 | Rigid Ring |
| 40 | C22.10-C26.14-N26.37-C27.1514-36-13-9 C22.15-C26.37-N26.14-C27.10 | 171.961 | Rigid |
| 41 | C23.11-C22.10-C26.14-N26.3736-13-9-10 C23.37-C22.14-C26.10-N26.11 | -143.859 | Flexible |
| 42 | C23.11-C22.10-C26.14-O26.4241-13-9-10 C23.42-C22.14-C26.10-O26.11 | 33.341 | Flexible |
| 43 | C24.12-C23.11-C22.10-C26.1413-9-10-11 C24.14-C23.10-C22.11-C26.12 | 176.032 | Rigid |
| 44 | C25.13-C20.8-C2.2-N2.3534-1-7-12 C25.35-C20.2-C2.8-N2.13 | -51.859 | Flexible |
| 45 | C26.14-N26.37-C27.15-N27.3837-14-36-13 C26.38-N26.15-C27.37-N27.14 | -170.567 | Rigid |
| 46 | C26.14-N26.37-C27.15-S29.4342-14-36-13 C26.43-N26.15-C27.37-S29.14 | 8.97 | Flexible |
| 47 | C27.15-N26.37-C26.14-O26.4241-13-36-14 C27.42-N26.14-C26.37-O26.15 | -5.264 | Rigid |
| 48 | C27.15-N27.38-C28.16-C29.1716-15-37-14 C27.17-N27.16-C28.38-C29.15 | -0.054 | Rigid Ring |
| 49 | C27.15-S29.43-C29.17-C28.1615-16-42-14 C27.16-S29.17-C29.43-C28.15 | 0.137 | Rigid Ring |
| 50 | C28.16-N27.38-C27.15-N26.3736-14-37-15 C28.37-N27.15-C27.38-N26.16 | 179.765 | Rigid |
| 51 | C28.16-N27.38-C27.15-S29.4342-14-37-15 C28.43-N27.15-C27.38-S29.16 | 0.152 | Rigid Ring |
| 52 | C29.17-S29.43-C27.15-N26.3736-14-42-16 C29.37-S29.15-C27.43-N26.17 | -179.771 | Rigid |
| 53 | C29.17-S29.43-C27.15-N27.3837-14-42-16 C29.38-S29.15-C27.43-N27.17 | -0.171 | Rigid Ring |
| 54 | C31.18-C3.3-C4.4-O4.4039-3-2-17 C31.40-C3.4-C4.3-O4.18 | 60.496 | Rigid |
| 55 | C31.18-C32.19-C33.20-C34.2120-19-18-17 C31.21-C32.20-C33.19-C34.18 | 179.41 | Rigid |
| 56 | C31.18-C32.19-C37.24-C36.2322-23-18-17 C31.23-C32.24-C37.19-C36.18 | -179.422 | Rigid |
| 57 | C32.19-C31.18-C3.3-N2.3534-2-17-18 C32.35-C31.3-C3.18-N2.19 | 79.031 | Flexible |
| 58 | C32.19-C33.20-C34.21-C35.2221-20-19-18 C32.22-C33.21-C34.20-C35.19 | 0.168 | Rigid Ring |
| 59 | C32.19-C37.24-C36.23-C35.2221-22-23-18 C32.22-C37.23-C36.24-C35.19 | -0.145 | Rigid Ring |
| 60 | C33.20-C32.19-C37.24-C36.2322-23-18-19 C33.23-C32.24-C37.19-C36.20 | 0.438 | Rigid Ring |
| 61 | C33.20-C34.21-C35.22-C36.2322-21-20-19 C33.23-C34.22-C35.21-C36.20 | 0.122 | Rigid Ring |
| 62 | C34.21-C33.20-C32.19-C37.2423-18-19-20 C34.24-C33.19-C32.20-C37.21 | -0.448 | Rigid Ring |
| 63 | C34.21-C35.22-C36.23-C37.2423-22-21-20 C34.24-C35.23-C36.22-C37.21 | -0.133 | Rigid Ring |
| 64 | C61.25-C6.6-C5.5-O5.4140-4-5-24 C61.41-C6.5-C5.6-O5.25 | 62.189 | Rigid |
| 65 | C61.25-C62.26-C63.27-C64.2827-26-25-24 C61.28-C62.27-C63.26-C64.25 | -176.955 | Rigid |
| 66 | C61.25-C62.26-C67.31-C66.3029-30-25-24 C61.30-C62.31-C67.26-C66.25 | 176.915 | Rigid |
| 67 | C62.26-C61.25-C6.6-N7.3635-5-24-25 C62.36-C61.6-C6.25-N7.26 | 66.053 | Flexible |
| 68 | C62.26-C63.27-C64.28-C65.2928-27-26-25 C62.29-C63.28-C64.27-C65.26 | -0.28 | Rigid Ring |
| 69 | C62.26-C67.31-C66.30-C65.2928-29-30-25 C62.29-C67.30-C66.31-C65.26 | 0.33 | Rigid Ring |
| 70 | C63.27-C62.26-C67.31-C66.3029-30-25-26 C63.30-C62.31-C67.26-C66.27 | -0.725 | Rigid Ring |
| 71 | C63.27-C64.28-C65.29-C66.3029-28-27-26 C63.30-C64.29-C65.28-C66.27 | -0.112 | Rigid Ring |
| 72 | C64.28-C63.27-C62.26-C67.3130-25-26-27 C64.31-C63.26-C62.27-C67.28 | 0.706 | Rigid Ring |
| 73 | C64.28-C65.29-C66.30-C67.3130-29-28-27 C64.31-C65.30-C66.29-C67.28 | 0.086 | Rigid Ring |
| 74 | C71.33-C70.32-C7.7-N7.3635-6-31-32 C71.36-C70.7-C7.32-N7.33 | -171.4 | Flexible |
| 75 | C72.34-C70.32-C7.7-N7.3635-6-31-33 C72.36-C70.7-C7.32-N7.34 | -104.993 | Flexible |
| 76 | N2.35-C1.1-N7.36-C6.65-35-0-34 N2.6-C1.36-N7.1-C6.35 | 40.588 | Rigid Ring |
| 77 | N2.35-C1.1-N7.36-C7.76-35-0-34 N2.7-C1.36-N7.1-C7.35 | -149.931 | Rigid |
| 78 | N2.35-C3.3-C4.4-O4.4039-3-2-34 N2.40-C3.4-C4.3-O4.35 | -166.241 | Rigid |
| 79 | N7.36-C1.1-N2.35-C2.21-34-0-35 N7.2-C1.35-N2.1-C2.36 | -175.408 | Rigid |
| 80 | N7.36-C1.1-N2.35-C3.32-34-0-35 N7.3-C1.35-N2.1-C3.36 | 12.718 | Rigid Ring |
| 81 | N7.36-C6.6-C5.5-O5.4140-4-5-35 N7.41-C6.5-C5.6-O5.36 | -166.831 | Rigid |
| 82 | N27.38-C28.16-C29.17-S29.4342-16-15-37 N27.43-C28.17-C29.16-S29.38 | -0.072 | Rigid Ring |
| 83 | O1.39-C1.1-N2.35-C2.21-34-0-38 O1.2-C1.35-N2.1-C2.39 | 5.643 | Rigid |
| 84 | O1.39-C1.1-N2.35-C3.32-34-0-38 O1.3-C1.35-N2.1-C3.39 | -166.231 | Rigid |
| 85 | O1.39-C1.1-N7.36-C6.65-35-0-38 O1.6-C1.36-N7.1-C6.39 | -140.455 | Rigid |
| 86 | O1.39-C1.1-N7.36-C7.76-35-0-38 O1.7-C1.36-N7.1-C7.39 | 29.026 | Rigid |
| 87 | O4.40-C4.4-C5.5-O5.4140-4-3-39 O4.41-C4.5-C5.4-O5.40 | 55.882 | Rigid |
Dihedrals Histogram