Mrv1652309102202502D 44 47 0 0 1 0 999 V2000 -5.5704 4.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7499 4.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4144 3.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 4.0549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 2.6338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4379 2.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 1.9664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5637 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 2.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7198 2.8925 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 1.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 -0.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 0.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 1.7994 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 -0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -1.5006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5802 -1.9131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 -1.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 -1.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 -2.7381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 -3.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 -3.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4381 -4.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -4.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7438 -4.6657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3313 -5.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 -6.1338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5243 -5.2086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 -0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -0.6756 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.6037 0.6388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 1.2519 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 4 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 34 39 1 0 0 0 0 25 40 1 0 0 0 0 40 41 2 0 0 0 0 21 41 1 0 0 0 0 41 42 1 0 0 0 0 13 43 2 0 0 0 0 43 44 1 0 0 0 0 8 44 1 6 0 0 0 M END > NP0293039 > NP-MRD > COC1=C(Br)[C@@H](O)[C@@]2(CC(=NO2)C(=O)NCCCOC2=C(Br)C=C(C[C@H](N)C(O)=NCCC3=CNC(=N)N3)C=C2Br)C=C1Br > InChI=1S/C27H31Br4N7O6/c1-42-22-17(30)10-27(23(39)20(22)31)11-19(38-44-27)25(41)34-4-2-6-43-21-15(28)7-13(8-16(21)29)9-18(32)24(40)35-5-3-14-12-36-26(33)37-14/h7-8,10,12,18,23,39H,2-6,9,11,32H2,1H3,(H,34,41)(H,35,40)(H3,33,36,37)/t18-,23+,27-/m0/s1 > AMHPLTQUBLUGOB-ZPBOBRSPSA-N > C27H31Br4N7O6 > 869.204 > 864.906934 > 12 > 75 > 73.74071093614224 > 0 > 7 > 0 > 0 > (2S)-2-amino-3-[3,5-dibromo-4-(3-{[(5R,10S)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]formamido}propoxy)phenyl]-N-[2-(2-imino-2,3-dihydro-1H-imidazol-4-yl)ethyl]propanimidic acid > -0.25378007127075913 > 1 > 4 > 2 > 12.36119761086178 > 1.0518111535384307 > 9.530585169975977 > 195.9 > 190.80089999999996 > 13 > 0 > (2S)-2-amino-3-[3,5-dibromo-4-(3-{[(5R,10S)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]formamido}propoxy)phenyl]-N-[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]propanimidic acid > 0 > NP0293039 > (2s)-2-amino-3-[3,5-dibromo-4-(3-{[(5r,10s)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]formamido}propoxy)phenyl]-n-[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]propanimidic acid $$$$