Mrv1909 05081915282D 86 85 0 0 1 0 999 V2000 8.6392 -5.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -5.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 -6.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 -6.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -7.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0544 -4.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6392 -4.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8849 -4.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8268 5.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 3.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2568 4.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 5.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 5.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 6.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1109 3.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3967 4.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 4.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 3.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 3.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6858 4.1928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4008 3.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6845 5.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3982 5.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 5.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1146 4.1950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8298 3.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1134 5.0200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8311 2.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5436 4.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2587 3.7859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9725 4.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2600 2.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 2.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9750 2.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6875 3.7881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9712 5.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4014 4.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8304 4.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5448 3.7892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8304 5.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1159 3.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7223 3.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5468 3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9605 -0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 -1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6734 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 0.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 -1.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8168 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1026 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3878 -1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6738 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1068 -1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8206 -0.7505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5357 -1.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8193 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5331 0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1041 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2494 -0.7482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9646 -1.1597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2482 0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9659 -1.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6784 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3935 -1.1573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1073 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3948 -1.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -2.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1099 -2.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8223 -1.1551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1060 0.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5362 -0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9652 -0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6796 -1.1540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9652 0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2507 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8570 -1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6816 -1.8576 0.0000 C 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 3 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 12 13 1 0 0 0 0 26 28 1 0 0 0 0 17 18 1 0 0 0 0 25 29 1 0 0 0 0 10 11 1 0 0 0 0 29 30 1 0 0 0 0 18 19 1 0 0 0 0 29 31 1 6 0 0 0 13 14 2 0 0 0 0 30 32 1 6 0 0 0 19 20 1 0 0 0 0 30 33 1 0 0 0 0 14 9 1 0 0 0 0 33 34 1 0 0 0 0 20 21 1 0 0 0 0 34 35 1 0 0 0 0 9 10 2 0 0 0 0 34 36 1 6 0 0 0 21 22 1 0 0 0 0 36 37 1 0 0 0 0 9 15 1 0 0 0 0 36 38 1 0 0 0 0 12 23 1 0 0 0 0 35 39 1 0 0 0 0 11 12 2 0 0 0 0 35 40 2 0 0 0 0 23 24 1 0 0 0 0 39 41 1 0 0 0 0 15 16 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 6 0 0 0 10 17 1 0 0 0 0 26 27 1 0 0 0 0 41 45 1 0 0 0 0 45 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 45 46 1 0 0 0 0 47 45 1 0 0 0 0 51 52 1 0 0 0 0 65 67 1 0 0 0 0 56 57 1 0 0 0 0 64 68 1 0 0 0 0 49 50 1 0 0 0 0 68 69 1 0 0 0 0 57 58 1 0 0 0 0 68 70 1 6 0 0 0 52 53 2 0 0 0 0 69 71 1 6 0 0 0 58 59 1 0 0 0 0 69 72 1 0 0 0 0 53 48 1 0 0 0 0 72 73 1 0 0 0 0 59 60 1 0 0 0 0 73 74 1 0 0 0 0 48 49 2 0 0 0 0 73 75 1 6 0 0 0 60 61 1 0 0 0 0 75 76 1 0 0 0 0 48 54 1 0 0 0 0 75 77 1 0 0 0 0 51 62 1 0 0 0 0 74 78 1 0 0 0 0 50 51 2 0 0 0 0 74 79 2 0 0 0 0 62 63 1 0 0 0 0 78 80 1 0 0 0 0 54 55 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 6 0 0 0 49 56 1 0 0 0 0 65 66 1 0 0 0 0 80 84 1 0 0 0 0 84 81 1 0 0 0 0 81 82 1 0 0 0 0 81 83 2 0 0 0 0 84 85 1 0 0 0 0 86 84 1 0 0 0 0 M END > DBSALT001203 > drugbank > OC(=O)\C=C\C(O)=O.COCCCOC1=C(OC)C=CC(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)=C1.COCCCOC1=C(OC)C=CC(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)=C1 > 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 > C64H110N6O16 > 1219.61 > 1218.797831486 > 7 > 196 > 63.30081722905038 > 0 > 4 > 0 > 0 > (2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide) > 3.87 > 3.1245122246666677 > -5.42 > 0 > 2 > 1 > 15.899403679417745 > 14.557216223829933 > 9.573059550980336 > 146.13 > 154.3183 > 40 > 0 > 2.10e-03 g/l > aliskiren > 0 > DBSALT001203 > Aliskiren hemifumarate > DB09026 > Aliskiren > 173334-58-2 > C8A0P8G029 $$$$