Mrv1652306131721592D 92 94 0 0 1 0 999 V2000 -7.7909 -0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9570 0.2678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7777 0.1844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5985 0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7646 -0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3857 0.5148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3717 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0791 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8005 -0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8144 0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1070 0.9152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7330 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3309 0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2380 2.1050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6013 2.8457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.8081 3.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6236 3.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8499 4.4683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7249 5.2838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.4384 6.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1791 6.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0020 6.7575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4336 7.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7565 7.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1569 8.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9984 8.1521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1902 8.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3652 8.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2818 9.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 8.1521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 7.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1219 7.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5845 7.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5535 6.7575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 6.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8305 5.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 5.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7056 4.4683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7474 3.6443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9542 2.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 2.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3175 2.1050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 1.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5661 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3581 0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8225 1.4526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4485 0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9772 0.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1698 0.5148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9319 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6324 2.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 4.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3764 6.4207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6914 5.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3207 7.2438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2737 9.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0262 9.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6953 8.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1097 10.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5236 5.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1020 4.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8818 4.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9007 5.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3749 2.5591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.0099 3.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5136 1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8787 1.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2873 1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7777 -0.6406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0633 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3488 -0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0633 -1.8781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7777 -2.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7777 -3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0633 -3.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4922 -3.5281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3488 -2.2906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3488 -3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6844 -3.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6343 -3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6343 -4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9199 -4.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2054 -4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4909 -4.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7764 -4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -4.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3475 -4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -4.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 -4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -4.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5104 -4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -5.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 6 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 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 42 1 1 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 2 49 1 0 0 0 0 39 50 1 1 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 35 53 1 6 0 0 0 53 54 1 0 0 0 0 53 55 1 6 0 0 0 27 56 1 1 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 19 60 1 1 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 15 64 1 1 0 0 0 64 65 1 1 0 0 0 64 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 3 69 1 6 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 72 77 1 1 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 1 0 0 0 0 M END > DB06087 > drugbank > CC(C)CCCCCCC\C=C/CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]2CCCCN2C1=O)[C@H](C)C(O)=O)[C@@H](C)N)C(C)C > InChI=1S/C59H94N14O19/c1-30(2)19-14-12-10-8-9-11-13-15-22-41(75)65-35(25-40(61)74)52(84)71-49-34(7)64-53(85)39-21-18-24-73(39)57(89)46(31(3)4)69-56(88)48(33(6)60)68-43(77)29-63-50(82)36(26-44(78)79)66-42(76)28-62-51(83)37(27-45(80)81)67-55(87)47(32(5)59(91)92)70-54(86)38-20-16-17-23-72(38)58(49)90/h13,15,30-39,46-49H,8-12,14,16-29,60H2,1-7H3,(H2,61,74)(H,62,83)(H,63,82)(H,64,85)(H,65,75)(H,66,76)(H,67,87)(H,68,77)(H,69,88)(H,70,86)(H,71,84)(H,78,79)(H,80,81)(H,91,92)/b15-13-/t32-,33+,34-,35-,36-,37-,38+,39-,46-,47-,48+,49-/m0/s1 > HVYFVLAUKMGKHL-USKUEUQVSA-N > C59H94N14O19 > 1303.48 > 1302.681966863 > 20 > 186 > 134.158392584782 > 0 > 15 > 0 > 0 > (2S)-2-[(3S,4S,7S,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-3-[(2S)-3-carbamoyl-2-[(3Z)-12-methyltridec-3-enamido]propanamido]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-(propan-2-yl)-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.0^{7,11}]octatriacontan-31-yl]propanoic acid > -0.50 > -7.155590769755965 > -4.91 > 1 > 3 > -2 > 3.5784470306908602 > 3.0826391449630757 > 8.32633044043803 > 512.6299999999999 > 321.7826000000001 > 23 > 0 > 1.61e-02 g/l > (2S)-2-[(3S,4S,7S,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-3-[(2S)-3-carbamoyl-2-[(3Z)-12-methyltridec-3-enamido]propanamido]-22,28-bis(carboxymethyl)-13-isopropyl-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-1,5,11,14,17,20,23,26,29,32-decaazatricyclo[32.4.0.0^{7,11}]octatriacontan-31-yl]propanoic acid > 0 > DB06087 > investigational > Friulimicin B > Friulimycin B $$$$