Mrv1652304292205102D 22 24 0 0 1 0 999 V2000 3.3523 1.9354 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 0.6979 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 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3687 -0.5966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -1.0091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -0.1841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5683 0.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -2.0486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 6 0 0 0 13 16 1 0 0 0 0 12 17 1 0 0 0 0 11 18 1 0 0 0 0 8 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 2 22 1 0 0 0 0 M RAD 1 13 2 M END > NP0082109 > NP-MRD > CN1[C@@H]([C@@H](O)[N](C)=C1N)C1=C(NC2=CC=C(Br)C=C12)C(O)=O > InChI=1S/C14H16BrN4O3/c1-18-11(12(20)19(2)14(18)16)9-7-5-6(15)3-4-8(7)17-10(9)13(21)22/h3-5,11-12,17,20H,16H2,1-2H3,(H,21,22)/t11-,12-/m1/s1 > RZRBFIYXSKBEON-VXGBXAGGSA-N > C14H16BrN4O3 > 368.211 > 367.040578 > 0 > 38 > 32.96589869563105 > 1 > 0 > 0 > 0 > 3-[(4R,5R)-2-amino-5-hydroxy-1,3-dimethyl-4,5-dihydro-3H-1lambda5-imidazol-4-yl]-5-bromo-1H-indole-2-carboxylic acid > 0.66 > -2.51 > 0 > 3 > 121.79 > 95.7082 > 2 > 0 > 1.14e+00 g/l > 3-[(4R,5R)-2-amino-5-hydroxy-1,3-dimethyl-4,5-dihydro-1lambda5-imidazol-4-yl]-5-bromo-1H-indole-2-carboxylic acid > 0 > NP0082109 > (+)-Trachycladindole E $$$$