Mrv1652309122216452D 21 23 0 0 1 0 999 V2000 -2.5990 -3.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 -2.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -2.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5371 -2.6646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2822 -1.8800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 -1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2203 -0.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.3215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 -3.1062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -3.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -4.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 10 18 1 0 0 0 0 13 18 1 0 0 0 0 8 19 1 0 0 0 0 19 20 2 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > NP0329899 > NP-MRD > CC(C)[C@@H]1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C1O > InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1 > WNWCQIPRIITCPM-KBPBESRZSA-N > C16H19N3O2 > 285.347 > 285.147726864 > 4 > 40 > 30.41079282685422 > 1 > 3 > 0 > 1 > (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)-3,6-dihydropyrazine-2,5-diol > 1.516628303619758 > 0 > 3 > 0 > 2.6934306594606356 > -0.4372642656285626 > 5.637244583319744 > 80.97 > 80.33930000000001 > 3 > 1 > (3S,6S)-3-(1H-indol-3-ylmethyl)-6-isopropyl-3,6-dihydropyrazine-2,5-diol > 0 > NP0329899 > (3s,6s)-3-(1h-indol-3-ylmethyl)-6-isopropyl-3,6-dihydropyrazine-2,5-diol $$$$