Table 3.
Selected 1H NMR Spectroscopic Assignments (750 MHz, d6-DMSO) for [Asp3,(E)-Dhb7]MC-LW (3)
| Monomer | Position | δH (J in Hz) | COSY |
|---|---|---|---|
| Adda | 2 | 3.00, m | 3, 11 |
| 3 | 4.34, m | 2, 4 | |
| 4 | 5.32, m | 3, 5 | |
| 5 | 6.17, d (15.3) | ||
| 7 | 5.51, d (9.2) | 8, 12 | |
| 8 | 2.59, m | 7, 9, 13 | |
| 9 | 3.27, m | 8, 10a/b | |
| 10a | 2.76, m | 9 | |
| 10b | 2.69, m | 9 | |
| 11 | 0.90, d (4.6) | 2 | |
| 12 | 1.58, s | 7 | |
| 13 | 1.00, d (6.9) | 8 | |
| 14 | 3.20, s | ||
| 16/20 | 7.21, m | 17/19 | |
| 17/19 | 7.27, m | 16/20, 18 | |
| 18 | 7.19, m | 17/19 | |
| NH | 8.19, br. | ||
| Dhb | 3 | 5.61, m | 4 |
| 4 | 1.88, m | 3 | |
| NH | 9.95, br. | ||
| Leu | 2 | 3.88, m | 3a/b, NH |
| 3a | 1.77, m | 2, 3b | |
| 3b | 1.39, m | 2, 3a, 4 | |
| 4 | 1.63, m | 3b, 5, 6 | |
| 5 | 0.82, m | 4 | |
| 6 | 0.75, d (6.1) | 4 | |
| NH | 7.92, br. | 2 | |
| Trp | 2 | 4.80, m | 3b, NHamide |
| 3a | 3.48, m | 3b | |
| 3b | 2.62, m | 2, 3a | |
| 5 | 6.77, m | 7, 8 | |
| 7 | 7.54, d (7.6) | 5 | |
| 8 | 6.94, m | 5 | |
| 9 | 6.96, m | 10 | |
| 10 | 7.23, d (7.6) | 9 | |
| NHamide | 8.59, br. | 2 | |
| NHindole | 10.59, br. |