Mrv1909 03102002102D 112107 0 0 0 0 999 V2000 3.9928 -1.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9352 -1.0795 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 -4.6448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 4.7859 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3488 -5.0124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3745 2.0798 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4157 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 2.0798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 1.7036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 -0.9896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 0.2971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 -0.9896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 -0.5279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 -0.9896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4249 -1.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 -2.4089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4249 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -0.1987 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1239 5.4015 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6946 2.7339 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8660 -4.2601 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8040 -4.6448 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.1090 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3978 5.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 -5.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 -5.6922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0712 -5.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1739 1.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1739 2.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 -0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0804 -1.9558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 -4.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3765 4.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 -3.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2341 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 -4.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6989 1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 4.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 -1.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 -3.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 3.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 -1.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7309 0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 3.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 -3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4157 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -3.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7168 -0.9127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 3.4734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6989 0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 -3.2426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 -3.7086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -3.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6989 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 -3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 3.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 -0.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 -3.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4008 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3745 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0762 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7296 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3488 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 4.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 3.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0499 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4008 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7432 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3626 -4.8628 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.3626 -4.8628 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.3626 -4.8628 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.3626 -4.8628 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.3626 -4.8628 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5 55 1 0 0 0 0 6 56 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 25 1 0 0 0 0 11 19 1 0 0 0 0 12 8 1 0 0 0 0 13 31 1 0 0 0 0 14 1 1 0 0 0 0 15 29 1 0 0 0 0 16 21 1 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 30 1 0 0 0 0 20 15 1 0 0 0 0 21 32 1 0 0 0 0 22 12 1 0 0 0 0 23 7 1 0 0 0 0 24 17 1 0 0 0 0 25 18 1 0 0 0 0 26 28 1 0 0 0 0 27 34 1 0 0 0 0 28 32 1 0 0 0 0 29 14 1 0 0 0 0 30 16 1 0 0 0 0 31 20 1 0 0 0 0 32 73 1 0 0 0 0 33 36 1 0 0 0 0 34 26 1 0 0 0 0 35 23 1 0 0 0 0 36 22 1 0 0 0 0 37 2 1 0 0 0 0 38 4 1 0 0 0 0 39 6 1 0 0 0 0 40 5 1 0 0 0 0 41 3 1 0 0 0 0 42 33 1 0 0 0 0 43 4 2 0 0 0 0 44 3 2 0 0 0 0 45 5 2 0 0 0 0 46 5 2 0 0 0 0 47 6 2 0 0 0 0 48 6 2 0 0 0 0 49 2 2 0 0 0 0 50 2 2 0 0 0 0 51 3 2 0 0 0 0 52 4 2 0 0 0 0 53 77 1 0 0 0 0 54 74 1 0 0 0 0 55 78 1 0 0 0 0 56 76 1 0 0 0 0 57 75 1 0 0 0 0 58 9 2 0 0 0 0 59 14 2 0 0 0 0 60 18 2 0 0 0 0 61 17 2 0 0 0 0 62 19 2 0 0 0 0 63 21 2 0 0 0 0 64 20 2 0 0 0 0 65 22 2 0 0 0 0 66 26 2 0 0 0 0 67 23 2 0 0 0 0 68 24 1 0 0 0 0 69 25 1 0 0 0 0 70 7 1 0 0 0 0 71 8 1 0 0 0 0 72 42 2 0 0 0 0 73 79 1 0 0 0 0 74 92 1 0 0 0 0 75 91 1 0 0 0 0 76 93 1 0 0 0 0 77 94 1 0 0 0 0 78 90 1 0 0 0 0 79 35 1 0 0 0 0 80 30 1 0 0 0 0 81 29 1 0 0 0 0 82 31 1 0 0 0 0 83 34 1 0 0 0 0 84 36 1 0 0 0 0 85 70 1 0 0 0 0 86 71 1 0 0 0 0 87 68 1 0 0 0 0 88 69 1 0 0 0 0 89 42 1 0 0 0 0 90 81 1 0 0 0 0 91 80 1 0 0 0 0 92 82 1 0 0 0 0 93 84 1 0 0 0 0 94 83 1 0 0 0 0 95 70 1 0 0 0 0 96 71 1 0 0 0 0 97100 1 0 0 0 0 98 89 1 0 0 0 0 99 97 1 0 0 0 0 100105 1 0 0 0 0 101 88 1 0 0 0 0 102 88 1 0 0 0 0 103 87 1 0 0 0 0 104 87 1 0 0 0 0 105 98 1 0 0 0 0 106 97 1 0 0 0 0 107 99 1 0 0 0 0 11 24 1 0 0 0 0 2 54 1 0 0 0 0 3 53 1 0 0 0 0 4 57 1 0 0 0 0 M CHG 8 37 -1 38 -1 39 -1 40 -1 41 -1 108 1 109 1 110 1 M CHG 2 111 1 112 1 M END > DBSALT000415 > drugbank > [Na+].[Na+].[Na+].[Na+].[Na+].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/C58H110N16O28S5.5Na/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);;;;;/q;5*+1/p-5 > IQWHCHZFYPIVRV-UHFFFAOYSA-I > C58H105N16Na5O28S5 > 1749.81 > 1748.53762408 > 33 > 217 > -3.0748712723625498 > 160.51746336881672 > 0 > 18 > 0 > 0 > pentasodium [(3-{3-hydroxy-2-[2-(6-methyloctanamido)-4-[(sulfonatomethyl)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-[(sulfonatomethyl)amino]ethyl})-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)amino]methanesulfonate > -1.01 > -16.56502576406156 > -2.63 > 0 > -2 > 1 > -3 > -3.8469800075069003 > -4.324215007324907 > 7.063904524870402 > 706.71 > 370.1856 > 44 > 0 > 4.11e+00 g/l > ENTA > 0 > DBSALT000415 > Colistimethate sodium > DB01111 > Colistimethate > 8068-28-8 > XW0E5YS77G $$$$