. 2020 Oct 15;15(11):2937–2944. doi: 10.1021/acschembio.0c00568

Table 1. ¹H and ¹³C NMR Data (600 and 150 MHz, resp) for Compound 1 (DMSO-d₆, 30°C).

pos.	¹³C	¹H	mult (J, Hz)	pos.	¹³C	¹H	mult (J, Hz)
3OHFA				Thr
1	167.6			NH		8.42	d (7.6)
2	39.4	2.69	dd (13.8, 3.5)	1	169.4
		2.17	dd (13.8, 4.1)	2	59.5	4.20	dd (7.8, 2.3)
3	70.7	4.97	m	3	65.0	4.35	dq (2.5, 6.5)
4	31.2	1.49	m	4	20.4	1.22	d (6.5)
5	26.1	1.20	obsc	DAPA2
6	28.6	1.21	obsc	NH		8.18	d (8.7)
7	25.0	1.20	obsc	1	169.1
8	38.0	1.12	obsc	2	53.2	4.22	ddd (8.7, 8.7, 5.7)
9	27.0	1.49	obsc	3	40.6	3.04	dd (13.1, 5.7)
10	22.1	0.84	d (6.6)			2.87	obsc
11	22.1	0.84	d (6.6)	Phe
DAPA1				NH		7.26	d (9.0)
NH		8.57	d (9.1)	1	171.5
1	170.8			2	53.5	4.76	obsc
2	50.6	4.73	obsc	3	37.6	2.89	obsc
3	43.9	3.12	dd (13.1, 5.4)			2.72	obsc
		2.97	dd (13.1, 4.1)	4	137.2
Leu				5/9	129.2	7.34	m
NH		8.89	br s	6/8	127.6	7.21	m
1	173.1			7	125.8	7.15	m
2	52.8	4.33	obsc	3OHVal
3	39.1	1.65	m	NH		8.59	d (9.6)
		1.46	m	1	169.4
4	24.0	1.65	obsc	2	58.0	4.72	obsc
5	22.2	0.88	d (6.2)	3	70.6
6	22.2	0.84	d (6.1)	4	26.4	1.05	s
DABA				5	26.5	0.92	s
NH		8.65	d (9.3)	Asp
1	168.0			NH		8.52	d (9.6)
2	49.5	4.64	ddd (9.3, 7.0, 7.0)	1	173.9
3	29.2	1.82	m	2	48.4	4.74	obsc
4	35.4	2.75	m	3	40.5	2.84	dd (16.1, 4.5)
		2.61	m			2.23	d (16.1, 3.8)
ABA				4	174.4
NH		10.22	br s
1	165.4
2	132.6
3	114.1	5.57	q (7.3)
4	12.5	1.77	d (7.3)

Table 1. 1H and 13C NMR Data (600 and 150 MHz, resp) for Compound 1 (DMSO-d6, 30°C).