2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide (1UN) Summary
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- 2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide (1UN) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | 54.635 | Rigid Ring |
| 2 | C1.1-C2.2-C9.9-C8.87-8-1-0 C1.8-C2.9-C9.2-C8.1 | 55.031 | Rigid Ring |
| 3 | C1.1-C6.6-C5.5-C4.43-4-5-0 C1.4-C6.5-C5.6-C4.1 | -62.787 | Rigid Ring |
| 4 | C1.1-C10.10-N7.7-C8.87-6-9-0 C1.8-C10.7-N7.10-C8.1 | -66.133 | Rigid Ring |
| 5 | C1.1-C10.10-N7.7-C18.1817-6-9-0 C1.18-C10.7-N7.10-C18.1 | 173.458 | Rigid |
| 6 | C2.2-C1.1-C6.6-C5.54-5-0-1 C2.5-C1.6-C6.1-C5.2 | 60.507 | Rigid Ring |
| 7 | C2.2-C1.1-C10.10-N7.76-9-0-1 C2.7-C1.10-C10.1-N7.2 | 64.129 | Rigid Ring |
| 8 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -57.564 | Rigid Ring |
| 9 | C2.2-C9.9-C8.8-N7.76-7-8-1 C2.7-C9.8-C8.9-N7.2 | -57.145 | Rigid Ring |
| 10 | C2.2-C9.9-C8.8-C11.1110-7-8-1 C2.11-C9.8-C8.9-C11.2 | -176.501 | Rigid |
| 11 | C3.3-C2.2-C9.9-C8.87-8-1-2 C3.8-C2.9-C9.2-C8.3 | 178.506 | Rigid Ring |
| 12 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | 63.489 | Rigid Ring |
| 13 | C4.4-C3.3-C2.2-C9.98-1-2-3 C4.9-C3.2-C2.3-C9.4 | -67.235 | Rigid Ring |
| 14 | C6.6-C1.1-C2.2-C3.32-1-0-5 C6.3-C1.2-C2.1-C3.6 | -58.92 | Rigid Ring |
| 15 | C6.6-C1.1-C2.2-C9.98-1-0-5 C6.9-C1.2-C2.1-C9.6 | 65.799 | Rigid Ring |
| 16 | C6.6-C1.1-C10.10-N7.76-9-0-5 C6.7-C1.10-C10.1-N7.6 | -58.792 | Rigid Ring |
| 17 | N7.7-C8.8-C11.11-N12.1211-10-7-6 N7.12-C8.11-C11.8-N12.7 | 144.322 | Flexible |
| 18 | N7.7-C8.8-C11.11-O17.1716-10-7-6 N7.17-C8.11-C11.8-O17.7 | -39.493 | Flexible |
| 19 | N7.7-C18.18-C19.19-C20.2019-18-17-6 N7.20-C18.19-C19.18-C20.7 | -79.484 | Flexible |
| 20 | N7.7-C18.18-C19.19-O21.2120-18-17-6 N7.21-C18.19-C19.18-O21.7 | 159.515 | Flexible |
| 21 | C8.8-N7.7-C18.18-C19.1918-17-6-7 C8.19-N7.18-C18.7-C19.8 | 152.706 | Flexible |
| 22 | C8.8-C11.11-N12.12-C13.1312-11-10-7 C8.13-C11.12-N12.11-C13.8 | -179.167 | Rigid |
| 23 | C9.9-C8.8-N7.7-C10.109-6-7-8 C9.10-C8.7-N7.8-C10.9 | 60.908 | Rigid Ring |
| 24 | C9.9-C8.8-N7.7-C18.1817-6-7-8 C9.18-C8.7-N7.8-C18.9 | 175.594 | Rigid |
| 25 | C9.9-C8.8-C11.11-N12.1211-10-7-8 C9.12-C8.11-C11.8-N12.9 | -96.292 | Flexible |
| 26 | C9.9-C8.8-C11.11-O17.1716-10-7-8 C9.17-C8.11-C11.8-O17.9 | 79.892 | Flexible |
| 27 | C10.10-C1.1-C2.2-C3.32-1-0-9 C10.3-C1.2-C2.1-C3.10 | 178.085 | Rigid Ring |
| 28 | C10.10-C1.1-C2.2-C9.98-1-0-9 C10.9-C1.2-C2.1-C9.10 | -57.196 | Rigid Ring |
| 29 | C10.10-C1.1-C6.6-C5.54-5-0-9 C10.5-C1.6-C6.1-C5.10 | -178.916 | Rigid Ring |
| 30 | C10.10-N7.7-C8.8-C11.1110-7-6-9 C10.11-N7.8-C8.7-C11.10 | 178.886 | Rigid |
| 31 | C10.10-N7.7-C18.18-C19.1918-17-6-9 C10.19-N7.18-C18.7-C19.10 | -89.778 | Flexible |
| 32 | C11.11-C8.8-N7.7-C18.1817-6-7-10 C11.18-C8.7-N7.8-C18.11 | -66.427 | Rigid |
| 33 | C11.11-N12.12-C13.13-C14.1413-12-11-10 C11.14-N12.13-C13.12-C14.11 | 58.744 | Flexible |
| 34 | C11.11-N12.12-C13.13-C15.1514-12-11-10 C11.15-N12.13-C13.12-C15.11 | -60.456 | Flexible |
| 35 | C11.11-N12.12-C13.13-C16.1615-12-11-10 C11.16-N12.13-C13.12-C16.11 | 176.986 | Flexible |
| 36 | C13.13-N12.12-C11.11-O17.1716-10-11-12 C13.17-N12.11-C11.12-O17.13 | 5.072 | Rigid |
| 37 | C18.18-C19.19-C20.20-N22.2221-19-18-17 C18.22-C19.20-C20.19-N22.18 | 174.226 | Flexible |
| 38 | C18.18-C19.19-C20.20-C23.2322-19-18-17 C18.23-C19.20-C20.19-C23.18 | -70.207 | Flexible |
| 39 | C19.19-C20.20-N22.22-C24.2423-21-19-18 C19.24-C20.22-N22.20-C24.19 | -103.235 | Flexible |
| 40 | C19.19-C20.20-C23.23-S74.3433-22-19-18 C19.34-C20.23-C23.20-S74.19 | 160.584 | Flexible |
| 41 | C20.20-N22.22-C24.24-O25.2524-23-21-19 C20.25-N22.24-C24.22-O25.20 | -1.215 | Rigid |
| 42 | C20.20-N22.22-C24.24-C29.2625-23-21-19 C20.26-N22.24-C24.22-C29.20 | -178.243 | Rigid |
| 43 | C20.20-C23.23-S74.34-C77.3534-33-22-19 C20.35-C23.34-S74.23-C77.20 | 99.518 | Flexible |
| 44 | O21.21-C19.19-C20.20-N22.2221-19-18-20 O21.22-C19.20-C20.19-N22.21 | -68.031 | Flexible |
| 45 | O21.21-C19.19-C20.20-C23.2322-19-18-20 O21.23-C19.20-C20.19-C23.21 | 47.537 | Flexible |
| 46 | N22.22-C20.20-C23.23-S74.3433-22-19-21 N22.34-C20.23-C23.20-S74.22 | -84.533 | Flexible |
| 47 | N22.22-C24.24-C29.26-C30.2726-25-23-21 N22.27-C24.26-C29.24-C30.22 | 48.033 | Flexible |
| 48 | N22.22-C24.24-C29.26-C34.3130-25-23-21 N22.31-C24.26-C29.24-C34.22 | -131.619 | Flexible |
| 49 | C23.23-C20.20-N22.22-C24.2423-21-19-22 C23.24-C20.22-N22.20-C24.23 | 133.85 | Flexible |
| 50 | C23.23-S74.34-C77.35-C78.3635-34-33-22 C23.36-S74.35-C77.34-C78.23 | -164.618 | Flexible |
| 51 | C23.23-S74.34-C77.35-C82.4039-34-33-22 C23.40-S74.35-C77.34-C82.23 | 16.199 | Flexible |
| 52 | C24.24-C29.26-C30.27-C31.2827-26-25-23 C24.28-C29.27-C30.26-C31.24 | -178.365 | Rigid |
| 53 | C24.24-C29.26-C34.31-C33.3029-30-25-23 C24.30-C29.31-C34.26-C33.24 | 177.943 | Rigid |
| 54 | C24.24-C29.26-C34.31-C39.3332-30-25-23 C24.33-C29.31-C34.26-C39.24 | 1.552 | Rigid |
| 55 | O25.25-C24.24-C29.26-C30.2726-25-23-24 O25.27-C24.26-C29.24-C30.25 | -128.989 | Flexible |
| 56 | O25.25-C24.24-C29.26-C34.3130-25-23-24 O25.31-C24.26-C29.24-C34.25 | 51.358 | Flexible |
| 57 | C29.26-C30.27-C31.28-C32.2928-27-26-25 C29.29-C30.28-C31.27-C32.26 | -1.456 | Rigid Ring |
| 58 | C29.26-C34.31-C33.30-C32.2928-29-30-25 C29.29-C34.30-C33.31-C32.26 | 2.44 | Rigid Ring |
| 59 | C29.26-C34.31-C33.30-O38.3231-29-30-25 C29.32-C34.30-C33.31-O38.26 | -172.828 | Rigid |
| 60 | C30.27-C29.26-C34.31-C33.3029-30-25-26 C30.30-C29.31-C34.26-C33.27 | -1.71 | Rigid Ring |
| 61 | C30.27-C29.26-C34.31-C39.3332-30-25-26 C30.33-C29.31-C34.26-C39.27 | -178.101 | Rigid |
| 62 | C30.27-C31.28-C32.29-C33.3029-28-27-26 C30.30-C31.29-C32.28-C33.27 | 2.103 | Rigid Ring |
| 63 | C31.28-C30.27-C29.26-C34.3130-25-26-27 C31.31-C30.26-C29.27-C34.28 | 1.289 | Rigid Ring |
| 64 | C31.28-C32.29-C33.30-C34.3130-29-28-27 C31.31-C32.30-C33.29-C34.28 | -2.694 | Rigid Ring |
| 65 | C31.28-C32.29-C33.30-O38.3231-29-28-27 C31.32-C32.30-C33.29-O38.28 | 172.485 | Rigid |
| 66 | C32.29-C33.30-C34.31-C39.3332-30-29-28 C32.33-C33.31-C34.30-C39.29 | 178.996 | Rigid |
| 67 | O38.32-C33.30-C34.31-C39.3332-30-29-31 O38.33-C33.31-C34.30-C39.32 | 3.727 | Rigid |
| 68 | S74.34-C77.35-C78.36-C79.3736-35-34-33 S74.37-C77.36-C78.35-C79.34 | -178.566 | Rigid |
| 69 | S74.34-C77.35-C82.40-C81.3938-39-34-33 S74.39-C77.40-C82.35-C81.34 | 178.358 | Rigid |
| 70 | C77.35-C78.36-C79.37-C80.3837-36-35-34 C77.38-C78.37-C79.36-C80.35 | -0.109 | Rigid Ring |
| 71 | C77.35-C82.40-C81.39-C80.3837-38-39-34 C77.38-C82.39-C81.40-C80.35 | 0.429 | Rigid Ring |
| 72 | C78.36-C77.35-C82.40-C81.3938-39-34-35 C78.39-C77.40-C82.35-C81.36 | -0.768 | Rigid Ring |
| 73 | C78.36-C79.37-C80.38-C81.3938-37-36-35 C78.39-C79.38-C80.37-C81.36 | -0.199 | Rigid Ring |
| 74 | C79.37-C78.36-C77.35-C82.4039-34-35-36 C79.40-C78.35-C77.36-C82.37 | 0.598 | Rigid Ring |
| 75 | C79.37-C80.38-C81.39-C82.4039-38-37-36 C79.40-C80.39-C81.38-C82.37 | 0.036 | Rigid Ring |
Dihedrals Histogram