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-7.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -6.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 -6.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1679 -6.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0546 -6.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5804 -6.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 -7.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 -7.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4797 -8.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 -9.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 -8.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8078 -8.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6241 -8.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1359 -7.5456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -7.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2566 -8.4321 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4898 -8.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0234 -8.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -9.4866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4166 -9.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 -8.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 -10.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5373 -10.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -11.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6580 -11.3795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9624 -12.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7787 -12.2660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5949 -12.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6589 -13.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 -11.0202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3929 -10.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0885 -10.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -11.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1855 -12.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6737 -12.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9781 -13.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 -12.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0648 -11.4277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7604 -10.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2723 -10.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9442 -10.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 -11.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7367 -11.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -12.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -12.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -9.7744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 -9.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 -10.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5191 -8.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 -9.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -9.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 -10.0621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8629 -9.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 -9.1756 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 -8.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -9.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7028 -8.7681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3984 -8.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 -7.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8709 -7.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 -6.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6871 -7.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 -3.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -4.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5610 -9.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8984 -11.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -8.4088 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 1 0 0 0 0 3 5 1 0 0 0 0 5 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 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 12 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 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 30 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 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 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 2 0 0 0 0 51 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 67 69 2 0 0 0 0 62 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 81 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 2 0 0 0 0 94 96 2 0 0 0 0 89 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 2 0 0 0 0 47100 1 0 0 0 0 100101 1 0 0 0 0 100102 1 0 0 0 0 98 41 1 0 0 0 0 103 17 1 0 0 0 0 104 35 1 0 0 0 0 105 56 1 0 0 0 0 106 67 1 0 0 0 0 107 94 1 0 0 0 0 M END > CHEM022236 > chemdb > CCC(C)CCCCC(=O)NC(CCNCS(O)(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS(O)(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS(O)(=O)=O)NC(=O)C(CCNCS(O)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS(O)(=O)=O)NC1=O)C(C)O > InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102) > BSSIRFLGSWHWDE-UHFFFAOYSA-N > C58H110N16O28S5 > 1639.909 > 1638.627900466 > 33 > 217 > 164.59456129239265 > 0 > 23 > 0 > 0 > [(3-{3-hydroxy-2-[2-(6-methyloctanamido)-4-[(sulfomethyl)amino]butanamido]butanamido}-3-{[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris({2-[(sulfomethyl)amino]ethyl})-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)amino]methanesulfonic acid > -2.24 > -16.565025548261513 > -2.95 > 0 > 1 > -4 > -3.846980032203965 > -4.3242150319284365 > 6.463904565381295 > 692.56 > 375.79410000000007 > 44 > 0 > 1.82e+00 g/l > [(3-{3-hydroxy-2-[2-(6-methyloctanamido)-4-[(sulfomethyl)amino]butanamido]butanamido}-3-{[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris({2-[(sulfomethyl)amino]ethyl})-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)amino]methanesulfonic acid > 0 > Colistimethate > 8068-28-8 $$$$