InChI=1S/C35H38Cl2N6O4/c36-26-12-8-23(9-13-26)19-42-21-32(44)40-30(7-3-4-16-38)34(46)41-31(17-25-18-39-29-6-2-1-5-28(25)29)35(47)43(22-33(42)45)20-24-10-14-27(37)15-11-24/h1-2,5-6,8-15,18,30-31,39H,3-4,7,16-17,19-22,38H2,(H,40,44)(H,41,46)/t30-,31-/m0/s1

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, methanol-d4 [47.6 ppm], ppm): δ = 172.4 (Cq, CON), 171.3 (Cq, CON), 171.2 (Cq, CON), 171.1 (Cq, CON), 136.4 (Cq, trp-Car), 135.3 (Cq, N1phCl-Car), 134.7 (Cq, N1phCl-Car), 133.5 (Cq, N1phCl-Car), 133.1 (Cq, N1phCl-Car), 129.8 (+, 2 × N1phCl-CarH), 128.8 (+, 2 × N1phCl-CarH), 128.3 (+, 2 × N1phCl-CarH), 128.2 (+, 2 × N1phCl-CarH), 128.1 (Cq, trp-Car), 123.8 (+, trp-CarH), 120.8 (+, trp-CarH), 118.4 (+, trp-CarH), 118.3 (+, trp-CarH), 110.7 (+, trp-CarH), 110.0 (Cq, trp-Car), 57.9 (+, lys-CαH), 53.3 (–, N1phCl-CH2), 52.2 (–, COCH2N), 50.7 (–, COCH2N), 50.5 (+, trp-CαH), 46.9 (–, N1phCl-CH2), 39.0 (–, lys-CεH2), 32.0 (–, lys-CβH2), 26.8 (–, lys-CδH2), 26.6 (–, trp-CH2), 22.4 (–, lys-CγH2). Spectrum contains signals from other isomers/unknown impuritites at 161.5, 129.5, 129.4, 128.0, 121.2, 39.1 ppm.