HMDB0249912 RDKit 3D 2-[[(2S)-1-[[(2S)-2-Carboxy-2-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]a... 56 57 0 0 0 0 0 0 0 0999 V2000 -6.9937 -2.2689 -1.3045 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7064 -2.2772 -1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9756 -1.7060 -2.2589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -2.8961 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 -3.4350 0.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 -1.9504 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -1.3454 0.0315 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 -0.4530 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 -0.2294 1.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 0.1908 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 1.3939 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 2.1086 -1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 3.1643 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 3.8496 -1.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 3.4906 -2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6506 2.4412 -3.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3674 1.7571 -2.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 0.6229 0.7475 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 -0.4408 1.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 -1.3387 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 -0.7904 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -0.2222 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5844 1.1071 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 1.6318 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 0.7882 1.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -0.5519 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.0500 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 0.0970 2.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4525 1.3361 2.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -0.7020 3.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -2.3430 -2.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4506 -3.7895 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5835 -4.1192 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -1.1431 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9499 -2.5060 1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -1.5496 -0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 -0.4687 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 1.0843 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 2.1014 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 3.4744 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 4.6870 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 4.0230 -3.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 2.1608 -4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8439 0.9416 -3.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 1.1636 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -1.1109 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 -1.8721 -0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 -2.2275 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -0.0927 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -1.6628 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 1.8461 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 2.6789 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6949 1.1585 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 -1.2072 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 -2.1146 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 -1.4345 2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 10 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 19 28 1 0 28 29 2 0 28 30 1 0 17 12 1 0 27 22 1 0 3 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 30 56 1 0 M END