HMDB0253848 RDKit 3D (2S)-2-Amino-N-[(1S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfon... 79 82 0 0 0 0 0 0 0 0999 V2000 -5.8729 0.1782 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8734 1.4609 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0071 2.2493 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0616 3.4395 1.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9295 3.8641 2.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7867 3.0995 2.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 1.9012 1.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5895 1.1234 1.7076 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 0.8875 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 0.7655 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2359 -0.4115 1.5453 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3805 -0.7904 1.8461 S 0 0 0 0 0 6 0 0 0 0 0 0 0.9969 0.4752 2.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 -1.8207 2.9279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -1.1208 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -2.2250 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 -3.6019 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6916 -4.4879 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2514 -3.5779 -2.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4581 -2.9144 -2.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 -2.3099 -1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -1.0966 -1.6943 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 -0.9047 -1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 -1.9016 -1.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8624 0.3981 -1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 0.3010 -1.6173 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 1.4146 -0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 2.7095 -1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 3.9807 0.1322 S 0 0 0 0 0 6 0 0 0 0 0 0 5.0618 3.4148 1.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 5.2327 -0.2355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1337 4.1481 0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 -2.3660 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -1.2614 -2.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -2.8984 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 -0.6047 2.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0256 0.5759 2.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4235 0.3647 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9341 -0.1038 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3491 -0.5953 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8842 1.9207 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9306 4.0832 1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9348 4.7847 2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8752 3.3599 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 -0.0772 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 1.7297 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 1.6937 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9055 0.7117 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 -0.1777 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.2271 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 -3.7484 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -3.7176 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 -5.2714 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -5.0225 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -3.9522 -2.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -3.6487 -3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 -2.1210 -3.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 -3.0668 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -0.2426 -1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 0.8323 -2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 0.2053 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 0.9351 -2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6396 1.0105 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 1.4975 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8304 2.9880 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1804 2.5006 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 2.5859 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 3.0639 1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9408 4.2850 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7105 -0.9024 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 -1.6800 -3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -0.3576 -2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -2.2087 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -3.0066 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 -3.8823 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -1.5225 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 -0.9033 3.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3712 1.3297 3.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8275 0.2274 3.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 29 32 2 0 19 33 1 0 33 34 1 0 33 35 1 0 11 36 1 0 36 37 1 0 7 2 1 0 37 8 1 0 21 16 1 0 33 16 1 0 1 38 1 0 1 39 1 0 1 40 1 0 3 41 1 0 4 42 1 0 5 43 1 0 6 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 15 49 1 0 15 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 25 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 28 65 1 0 28 66 1 0 30 67 1 0 30 68 1 0 30 69 1 0 34 70 1 0 34 71 1 0 34 72 1 0 35 73 1 0 35 74 1 0 35 75 1 0 36 76 1 0 36 77 1 0 37 78 1 0 37 79 1 0 M END