. 2025 Jan 29;10(5):5087–5096. doi: 10.1021/acsomega.4c10990

Table 2. ¹³C NMR Data for 1–3 in DMSO-d₆ at 175 MHz [δ_C in ppm].

amino acid		1	2	3	amino acid		1	2	3
N-MeGlu/N-MeGlu(γ–OH)	CO	169.6	169.6	168.2	N-MeVal	CO	169.8	170.9	170.0
	α	62.0	62.4	62.5		α	57.1	57.2	57.2
	β	23.9	25.0	24.1		β	27.5	27.0	27.1
	γ	30.6	69.3	31.1		γ₁-Me	18.0	18.0	18.0
	δ-COOH	174.2	173.6	173.5		γ₂-Me	19.2	19.4	19.4
	NMe	38.5	38.9	38.8		NMe	28.2	28.4	28.3
Val₁	CO	170.1	171.4	169.9	Gly	CO	170.6	170.0	170.4
	α	52.5	53.7	53.8		α	41.3	40.3	40.5
	β	29.2	31.9	31.7	Pro₁	CO	170.7	170.1	170.9
	γ₁-Me	19.2	19.1	17.0		α	59.5	59.8	59.4
	γ₂-Me	15.5	18.0	19.1		β	29.1	28.9	28.9
Pip/Pro₂	CO	172.2	169.9	171.7		γ	24.9	25.3	25.0
	α	52.5	58.1	59.6		δ	47.1	47.1	47.1
	β	27.1	28.9	29.9	Phe	CO	169.8	168.3	168.4
	γ	19.7	24.6	24.5		α	52.3	52.2	52.3
	δ	24.5	48.6	47.6		β	36.4	36.4	36.3
	ε	43.1				γ-C₁	137.5	137.5	137.7
Val₂/Ile	CO	172.4	172.4	172.3		C_2/C₆	129.4	129.4	129.4
	α	54.2	54.0	54.2		C_3/C₅	128.2	128.2	128.2
	β	31.1	37.5	31.1		C₄	126.5	126.5	126.4
	γ₁-Me	17.9	14.9	18.0	HMP	CO	168.1	168.2	166.4
	γ₂-Me	19.2	11.1	19.2		α	74.6	75.0	74.7
	γ-CH₂		23.7			β	35.7	36.0	35.9
N-MeGln	CO	168.7	168.9	168.1		γ-Me	13.9	14.6	14.6
	α	58.9	59.0	59.0		γ-CH₂	25.4	25.5	25.5
	β	24.1	24.1	24.1		δ-Me	11.6	11.6	11.6
	γ	30.9	31.0	31.0
	δ-CONH₂	173.3	173.2	173.2
	NMe	29.3	29.4	29.4

Table 2. 13C NMR Data for 1–3 in DMSO-d6 at 175 MHz [δC in ppm].