HMDB0040249 RDKit 3D (S,S)-Np-Histidinylalanine 31 31 0 0 0 0 0 0 0 0999 V2000 -2.3949 1.6567 -1.8196 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0923 0.7988 -0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.0800 -1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5158 -1.0248 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 -2.2985 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -2.8260 1.1757 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 -1.9704 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 -0.8525 0.9428 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1899 0.3315 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 0.2474 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 1.4861 0.7504 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 -0.0638 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -1.0976 -1.4438 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 0.8187 -1.7764 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 0.0532 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3681 0.1876 -0.9954 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3192 -0.8293 0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3925 1.9866 -1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7434 2.4577 -1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 1.4840 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1255 0.6158 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -0.6177 -2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -2.7822 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0494 -2.0855 2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 0.4715 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 1.2549 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 -0.5478 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 2.2231 0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 1.7077 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2521 0.8712 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 -1.5763 0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 2 15 1 0 15 16 2 0 15 17 1 0 8 4 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 7 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 14 30 1 0 17 31 1 0 M END