Mrv1652304282216012D 29 31 0 0 1 0 999 V2000 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 1.4230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6411 1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 2.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 0.9814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6056 0.2670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 1.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 1.5945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0257 -0.1136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8542 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8103 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4234 -0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 0.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 7 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 15 13 1 6 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 15 25 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 3 28 1 0 0 0 0 2 29 1 0 0 0 0 M END > NP0068770 > NP-MRD > CC[C@@H](C)C1=N[C@@](NC1=O)(C(C)C)C(=O)N\C=C/C1=CNC2=CC(Br)=C(Br)C=C12 > InChI=1S/C21H24Br2N4O2/c1-5-12(4)18-19(28)27-21(26-18,11(2)3)20(29)24-7-6-13-10-25-17-9-16(23)15(22)8-14(13)17/h6-12,25H,5H2,1-4H3,(H,24,29)(H,27,28)/b7-6-/t12-,21-/m1/s1 > APCCRXVVDURQKU-AAJWQBEPSA-N > C21H24Br2N4O2 > 524.257 > 522.026602 > 3 > 53 > 47.74240689317282 > 0 > 3 > 0 > 0 > (2S)-4-[(2R)-butan-2-yl]-N-[(Z)-2-(5,6-dibromo-1H-indol-3-yl)ethenyl]-5-oxo-2-(propan-2-yl)-2,5-dihydro-1H-imidazole-2-carboxamide > 4.69 > 5.868824121333333 > -5.86 > 1 > 3 > 0 > 13.647883558464247 > 10.001231207498993 > -1.6653988814343346 > 86.35 > 120.88690000000001 > 6 > 0 > 7.16e-04 g/l > (2S)-4-[(2R)-butan-2-yl]-N-[(Z)-2-(5,6-dibromo-1H-indol-3-yl)ethenyl]-2-isopropyl-5-oxo-1H-imidazole-2-carboxamide > 0 > NP0068770 > (+)-Kottamide A $$$$