Marvin 12090916122D 86 85 0 0 0 0 999 V2000 3.1206 -21.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 -22.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 -22.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 -22.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5478 -21.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -21.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -21.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 -20.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4046 -22.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -22.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 -22.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -22.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 -22.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 -22.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2658 -22.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 -22.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6947 -22.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9783 -21.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 -21.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2632 -21.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4085 -22.4890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1237 -22.9004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4073 -21.6640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -23.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -22.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5526 -22.8981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2664 -22.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5539 -23.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 -24.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 -24.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9815 -22.8959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 -21.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6954 -22.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1244 -22.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8388 -22.8948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1244 -21.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4099 -22.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0162 -23.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8408 -23.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -29.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 -30.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -30.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3575 -30.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3546 -29.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 -28.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 -28.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2126 -28.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -30.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 -30.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -30.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -30.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6465 -30.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -30.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 -30.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7864 -30.0704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5015 -30.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7851 -29.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 -28.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -28.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2153 -30.0682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9305 -30.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2141 -29.2432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9318 -31.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6443 -30.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3594 -30.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0732 -30.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 -31.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6469 -31.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0758 -31.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7883 -30.4751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -29.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5022 -30.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9312 -30.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6456 -30.4740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9312 -29.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2167 -30.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 -31.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6476 -31.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -26.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -26.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 -26.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -26.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 -27.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -26.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -26.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -25.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 18 20 1 0 0 0 0 9 10 1 0 0 0 0 17 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 0 0 0 0 21 23 1 6 0 0 0 5 6 2 0 0 0 0 22 24 1 6 0 0 0 11 12 1 0 0 0 0 22 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 26 28 1 6 0 0 0 13 14 1 0 0 0 0 28 29 1 0 0 0 0 1 7 1 0 0 0 0 28 30 1 0 0 0 0 4 15 1 0 0 0 0 27 31 1 0 0 0 0 3 4 2 0 0 0 0 27 32 2 0 0 0 0 15 16 1 0 0 0 0 31 33 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 6 0 0 0 2 9 1 0 0 0 0 18 19 1 0 0 0 0 33 37 1 0 0 0 0 37 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 37 38 1 0 0 0 0 39 37 1 0 0 0 0 43 44 1 0 0 0 0 57 59 1 0 0 0 0 48 49 1 0 0 0 0 56 60 1 0 0 0 0 41 42 1 0 0 0 0 60 61 1 0 0 0 0 49 50 1 0 0 0 0 60 62 1 6 0 0 0 44 45 2 0 0 0 0 61 63 1 6 0 0 0 50 51 1 0 0 0 0 61 64 1 0 0 0 0 45 40 1 0 0 0 0 64 65 1 0 0 0 0 51 52 1 0 0 0 0 65 66 1 0 0 0 0 40 41 2 0 0 0 0 65 67 1 6 0 0 0 52 53 1 0 0 0 0 67 68 1 0 0 0 0 40 46 1 0 0 0 0 67 69 1 0 0 0 0 43 54 1 0 0 0 0 66 70 1 0 0 0 0 42 43 2 0 0 0 0 66 71 2 0 0 0 0 54 55 1 0 0 0 0 70 72 1 0 0 0 0 46 47 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 6 0 0 0 41 48 1 0 0 0 0 57 58 1 0 0 0 0 72 76 1 0 0 0 0 76 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 2 0 0 0 0 76 77 1 0 0 0 0 78 76 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 83 2 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 M END > CHEBI:53777 > aliskiren fumarate > The hemifumarate salt of aliskiren. > 3 > Aliskiren hemifumarate > bis{(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide} (2E)-but-2-enedioate > C64H110N6O16 > 1219.58880 > 1218.79783 > 0 > OC(=O)\C=C\C(O)=O.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC > InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1 > KLRSDBSKUSSCGU-KRQUFFFQSA-N > 8750478 > 173334-58-2 > 173334-58-2 > DB01258 > D06412 $$$$