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. 2020 Aug 27;18(9):446. doi: 10.3390/md18090446

Table 2.

Nuclear Magnetic Resonance NMR Spectroscopic Data (500 MHz, dimethyl sulfoxide-d6 DMSO-d6) for aeruginosamide AEG371 (Dma-Phe-Phe-Pro-Pyr-Tzl-COOMe).

Residue Position äC, Type äH (J in Hz) ROESY a HMBC b
Tzl-COOMe 1 51.1, CH3 3.81, s 4 2
2 160.3, C
3 144.5, C
4 128.0, CH 8.43, s 1 2, 5
5 173.4, C
Pyr 6 57.5, CH 5.32, dd (8.2, 2.4) 5
7 30.5, CH2 2.05, m
2.27, m
8 23.3, CH2 1.87, m
1.96, m
9 45.9, CH2 3.70, m 11
Pro 10 169.7, C
11 56.7, CH 4.68, brs 9 10
12 27.1, CH2 1.81, m
2.20, m
13 23.7, CH2 2.04, m
14 46.0, CH2 3.50, m 16
3.66, m
Phe 15 168.2, C
16 50.0, CH 4.77, brs 14 15, 18
17 36.1, CH2 2.76, dd (14.1, 8.8) 19 15, 16, 18
2.97, dd (14.1, 4.3)
18 136.3, C
19 128.6, CH 7.11, d (7.1) 17
20 127.1, CH 7.23, m
21 125.3, CH 7.18, m
NH(1) 8.18, d (8.9) 23 22
Phe 22 173.3, C
23 57.1, CH 3.03, dd (9.0, 4.2) 30, NH(1) 29
24 39.6, CH2 2.35, dd (13.3, 9.0) 26 22, 23, 25
2.67, dd (13.3, 4.1)
25 137.4, C
26 128.6, CH 7.11, d (7.1) 24
27 127.1, CH 7.23, m
28 125.4, CH 7.18, m
NH(2)
Dma c 29 53.2, C
30 24.7, CH3 0.79, s 23
31 26.6, CH3 0.76, s 32
32 144.9, CH 5.26, dd (17.5, 10.7) 31 29, 31
33 110.9, CH2 4.72, m

a ROESY Rotation Frame Nuclear Overhauser Effect Spectroscopy; b HMBC correlations are given from proton(s) stated to the indicated carbon atom; c Dma: 1,1-dimethylallyl.