Mrv1652304292201202D 23 25 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 0 0 0 0 0 0 0 0 0 0 0.0768 -0.1006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7482 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 0.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -0.8853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 -1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 -2.1952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3317 -0.8853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 -1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 -1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 0.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 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 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 14 19 1 0 0 0 0 11 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 M END > NP0078247 > NP-MRD > CCO[C@@]1(CC2=CNC3=CC(Br)=CC=C23)N(C)C(=N)N(C)C1=O > InChI=1S/C16H19BrN4O2/c1-4-23-16(14(22)20(2)15(18)21(16)3)8-10-9-19-13-7-11(17)5-6-12(10)13/h5-7,9,18-19H,4,8H2,1-3H3/t16-/m1/s1 > RNZDQSFDNPIZJE-MRXNPFEDSA-N > C16H19BrN4O2 > 379.258 > 378.069139 > 4 > 42 > 35.11609523603249 > 1 > 2 > 0 > 1 > (5R)-5-[(6-bromo-1H-indol-3-yl)methyl]-5-ethoxy-2-imino-1,3-dimethylimidazolidin-4-one > 2.61 > 2.985536573666666 > -3.86 > 0 > 3 > 0 > 15.838963835859825 > 2.6280655317091393 > 72.42 > 102.68430000000001 > 4 > 1 > 5.21e-02 g/l > (5R)-5-[(6-bromo-1H-indol-3-yl)methyl]-5-ethoxy-2-imino-1,3-dimethylimidazolidin-4-one > 0 > NP0078247 > (+)-6-Bromo-1'-ethoxy-1',8-dihydroaplysinopsin $$$$