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. 2019 Aug 21;17(9):488. doi: 10.3390/md17090488

Table 2.

NMR data of compounds 3 and 4.

		3 ^a		4 ^b
Unit	Position	δ_C, Type	δ_H, Mult (J in Hz)	δ_C, Type	δ_H, Mult (J in Hz)
Val	CO	172.0, C		172.8, C
	α	57.1, CH	4.43, t (9.8)	59.4, CH	4.10, d (9.0)
	β	30.3, CH	1.89, m	30.8, CH	1.97, m
	γ	19.2, CH₃	0.86, d (6.5)	19.4, CH₃	1.02, d (6.6)
		18.8, CH₃	0.92, d (6.5)	19.2, CH₃	0.91, d (6.8)
	NH		6.43, d (9.1)
Pro	CO	173.3, C		173.7, C
	α	59.5, CH	4.31, d (5.8)	61.7, CH	4.35, dd (8.3, 2.4)
	β	29.7, CH₂	2.13, m	30.5, CH₂	1.88, m
					1.74, m
	γ	24.7, CH₂	1.88, m	24.2, CH₂	1.63, m
					1.04, m
	δ	48.1, CH₂	3.93, m	48.6, CH₂	3.72, m
			3.52, m		3.46, m
Tyr	CO	172.4, C		173.9, C
	α	50.6, CH	4.54, dd (13.3, 6.6)	51.2, CH	4.62, dd (11.2, 4.0)
	β	35.9, CH₂	2.42, dd (13.6, 9.2)	36.0, CH₂	2.63, dd (13.1, 11.5)
			1.87, dd (13.2, 6.2)		1.43, dd (13.2, 3.5)
	γ	126.6, C		129.2, C
	ortho	130.2, CH	6.77, d (7.8)	131.5, CH	6.92, d (8.3)
	meta	115.9, CH	6.66, d (8.0)	115.9, CH	6.64, d (8.4)
	para	155.9, C		157.3, C
	NH		6.44, d (9.1)
N-Me-Phe	CO	168.1, C		170.5, C
N-Me-Phe	α	63.2, CH	4.82, t (6.8)	63.7, CH	5.28, dd (10.9, 3.4)
	β	34.5, CH₂	3.34, dd (14.0, 5.7)	35.4, CH₂	3.16, dd (14.3, 3.5)
			2.52, dd (13.9, 7.8)		2.97, dd (14.1, 9.3)
	γ	137.9, C		139.4, C
	ortho	129.4, CH	7.13, d (7.4)	130.7, CH	7.28, d (7.2)
	meta	129.1, CH	7.24, d (7.5)	130.1, CH	7.30, d (7.3)
	para	127.3, CH	7.23, d (7.3)	128.1, CH	7.17, d (7.5)
	N-CH₃	29.5, CH₃	2.87, s	30.2, CH₃	2.90, s
Ala	CO	170.9, C		180.8, C
	α	48.5, CH	4.67, d (7.9)	52.1, CH	4.19, m
	β	18.6, CH₃	1.32, d (7.3)	18.5, CH₃	1.34, d (6.5)
	NH		8.16, d (8.3)
N-Ac-Thr	CO	169.7, C		173.0, C
N-Ac-Thr	α	55.4, CH	4.69, m	59.7, CH	4.47, d (5.2)
	β	70.1, CH	5.53, q (5.9)	68.6, CH	4.17, q (5.9)
	γ	17.0, CH₃	1.18, d (6.5)	19.7, CH₃	1.21, d (6.4)
	NH		6.29, d (9.0)
	CO	171.8, C		174.1, C
	α	23.1, CH₃	1.83, s	22.8, CH₃	2.09, s

^a,b Measured in CDCl₃ and CD₃OD, respectively.