InChI=1S/C45H61N7O6/c1-3-5-25-49-31-40(53)47-38(28-35-18-10-7-11-19-35)44(57)48-39(29-36-20-12-8-13-21-36)45(58)51(27-17-16-24-46)33-43(56)52(30-37-22-14-9-15-23-37)34-42(55)50(26-6-4-2)32-41(49)54/h7-15,18-23,38-39H,3-6,16-17,24-34,46H2,1-2H3,(H,47,53)(H,48,57)/t38-,39-/m0/s1

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, acetonitrile, ppm): δ = 172.5 (Cq, CON), 171.2 (Cq, CON), 170.6 (Cq, CON), 170.2 (Cq, CON), 170.1 (Cq, CON), 169.6 (Cq, CON), 139.8 (Cq, Car), 138.6 (Cq, Car), 138.0 (Cq, Car), 130.5 (+, 2 × CarH), 130.3 (+, 2 × CarH), 129.5 (+, 2 × CarH), 129.4 (+, 2 × CarH), 129.0 (+, 2 × CarH), 128.8 (+, 2 × CarH), 128.2 (+, CarH), 127.8 (+, 2 × CarH), 57.3 (+, phe-CαH), 55.5 (+, phe-CαH), 51.2 (–, COCH2N), 51.0 (–, COCH2N), 49.7 (–, N3m-C1H2), 49.2 (–, COCH2N), 49.0 (–, COCH2N), 48.8 (–, COCH2N), 47.2 (–, N1ph-CH2), 44.2 (–, N4am-C1H2), 40.2 (–, N4am-C4H2), 38.1 (–, phe-CH2), 37.2 (–, phe-CH2), 31.2 (–, N3m-C2H2), 30.5 (–, N3m-C2H2), 24.2 (–, N4am-CH2), 23.1 (–, N4am-CH2), 20.7 (–, N3m-C3H2), 20.5 (–, N3m-C3H2), 14.1 (+, N3m-CH3), 14.0 (+, N3m-CH3).Spectrum contains signals from other isomers/unknown impuritites at 162.0, 161.7, 161.5, 127.0, 119.3, 116.9, 41.2, 35.3 ppm.