HMDB0248053 RDKit 3D 2-[(3R)-1-(2,2-Diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3... 76 79 0 0 0 0 0 0 0 0999 V2000 5.7892 -1.6506 3.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 -0.9256 2.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 -1.7178 1.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6477 -1.0518 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 -1.8234 0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3535 -1.2197 -0.0463 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 -0.2310 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2777 0.2547 1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 0.0875 -0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 -0.1792 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1382 -1.6226 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 -2.4341 -0.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 -2.0448 -0.2646 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -3.3168 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1693 -4.4154 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6898 -5.6771 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0449 -5.8464 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6091 -7.2066 0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 -4.7608 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3303 -3.5249 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 1.4585 -1.3775 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 2.5678 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 2.3375 0.5655 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4941 3.8705 -1.0583 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 5.0823 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 6.2973 -1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 7.5127 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 7.5938 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 8.9013 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 6.4299 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 5.1915 0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 -0.7905 -1.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1628 -0.9519 -3.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -1.8326 -4.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5137 -2.5677 -3.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -2.4216 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 -1.5392 -1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 -1.0729 -0.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4157 0.1751 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2781 1.0980 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8816 -2.7085 3.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7824 -1.1634 3.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3807 -1.7169 4.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 0.0424 2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 -0.7597 3.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 -0.0281 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -2.8826 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 -1.8923 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 0.4468 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 0.0428 -1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2156 -1.2683 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 -4.3714 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -6.5360 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5564 -7.4177 2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6278 -7.3220 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -7.9415 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9334 -4.9106 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0178 -2.6844 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0807 1.6358 -2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1025 3.9577 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 6.2684 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 8.4568 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9318 9.0448 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 9.7172 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 8.9577 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 6.4149 2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 4.3039 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -0.3264 -3.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -1.9116 -5.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -3.2783 -4.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6493 -3.0155 -1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4465 0.6880 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 0.0288 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 1.6618 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 0.5679 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6831 1.8661 -0.8921 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 9 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 9 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 4 38 1 0 38 39 1 0 39 40 1 0 37 6 1 0 20 14 1 0 31 25 1 0 37 32 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 10 49 1 0 10 50 1 0 13 51 1 0 15 52 1 0 16 53 1 0 18 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 20 58 1 0 21 59 1 0 24 60 1 0 26 61 1 0 27 62 1 0 29 63 1 0 29 64 1 0 29 65 1 0 30 66 1 0 31 67 1 0 33 68 1 0 34 69 1 0 35 70 1 0 36 71 1 0 39 72 1 0 39 73 1 0 40 74 1 0 40 75 1 0 40 76 1 0 M END