13C nuclear magnetic resonance spectroscopy (13C NMR) ()

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, dimethyl sulfoxide-d6, ppm): δ = 173.7 (Cq, CONH), 172.3 (Cq, CONH), 171.9 (Cq, CONH), 168.9 (Cq, CONH), 137.2 (Cq, phe-Car), 136.0 (Cq, trp-Car), 129.1 (Cq, trp-Car), 128.9 (+, 2 × phe-CH), 128.2 (+, 2 × phe-CH), 126.6 (+, phe-CH), 122.7 (+, trp-CH), 120.9 (+, trp-CH), 118.2 (+, trp-CH), 118.0 (+, trp-CH), 111.4 (+, trp-CH), 110.2 (Cq, trp-Car), 58.6 (+, pro-CαH), 57.9 (+, nle-CαH), 56.8 (+, phe-CαH), 56.2 (+, trp-CαH), 47.7 (–, pro-CδH2), 37.2 (–, phe-CH2), 32.3 (–, pro-CβH2), 29.3 (–, nle-CβH2), 27.5 (–, nle-CδH2), 27.2 (–, trp-CH2), 21.8 (–, nle-CγH2), 20.2 (pro-CγH2), 13.8 (+, nle-CH3).The spectrum contains multiple signal sets. Chemical shifts of the most prominent isomer are given. Signals of the additional isomer “(2)” which is represented in about half the amount of the dominant isomer: 13C NMR (125 MHz, dimethyl sulfoxide-d6, ppm): δ = 173.2 (Cq, (2)-CON), 172.5 (Cq, (2)-CON), 172.3 (Cq, (2)-CON), 169.3 (Cq, (2)-CON), 137.6 (Cq, phe(2)-Car), 136.4 (Cq, trp(2)-Car), 128.5 (+, 2 × phe(2)-CH), 128.3 (Cq, trp(2)-Car), 127.2 (+,phe(2)-CH), 124.0 (+, trp(2)-CH), 120.9 (+, trp(2)-CH), 118.4 (+, trp(2)-CH), 118.3 (+, trp(2)-CH), 111.5 (+, trp(2)-CH), 110.2. (Cq, trp(2)-Car), 58.3 (+, phe(2)-CαH), 58.0 (+, pro(2)-CαH), 56.7 (+, nle(2)-CαH), 48.1 (–, pro(2)-CδH2), 46.4 (+, trp(2)-CαH), 34.2 (–, phe(2)-CH2), 32.2 (–, pro(2)-CβH2), 29.9 (–, nle(2)-CβH2), 26.9 (–, nle(2)-CδH2), 26.6 (–, trp(2)-CH2), 21.5 (–, nle(2)-CγH2), 21.0 (–, pro(2)-CγH2), 13.8 (+, nle(2)-CH3).