Mrv1652312081619462D 90 95 0 0 1 0 999 V2000 8.3948 13.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 12.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4589 11.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9031 11.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 10.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9672 9.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5872 9.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0313 8.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6513 7.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8271 7.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 8.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 9.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4471 6.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8161 6.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2284 5.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 5.9961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 6.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3514 4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 4.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 3.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5973 3.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 3.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7063 4.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 2.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4882 2.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 1.8386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1982 1.0228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0232 1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8115 0.7796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4932 0.3149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0076 -0.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3090 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1133 -0.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3706 -1.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1923 -1.8468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5165 -2.6055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8953 -3.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 -2.7251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7745 -3.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4195 -3.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -4.0007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4265 -4.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6107 -4.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6107 -5.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7949 -4.3587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0516 -4.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 -3.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8018 -3.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0343 -2.7251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3261 -3.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7048 -2.6055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0291 -1.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 -1.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 -0.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 -0.3301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7282 0.3149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4098 0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4993 0.0824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4993 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 -0.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 -2.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5517 -5.1470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7474 -5.3306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5042 -6.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0654 -6.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 -7.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 -7.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4567 -7.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6999 -6.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 -7.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 -8.0628 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 -7.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 -8.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -8.8512 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7747 -8.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1863 -4.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1129 -5.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 -4.6824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2766 -5.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7413 -6.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5640 -6.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3833 -6.8506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4572 -4.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3209 -2.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -1.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0543 0.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1695 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 -9.6395 0.0000 Na 0 3 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 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 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 1 0 0 0 0 37 38 1 0 0 0 0 34 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 49 53 1 6 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 27 58 1 0 0 0 0 58 59 2 0 0 0 0 56 60 1 6 0 0 0 60 61 1 0 0 0 0 60 62 1 6 0 0 0 51 63 1 1 0 0 0 45 64 1 6 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 66 71 1 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 2 0 0 0 0 73 76 1 0 0 0 0 69 77 1 0 0 0 0 65 78 1 6 0 0 0 64 79 1 6 0 0 0 41 80 1 6 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 80 85 1 6 0 0 0 36 86 1 1 0 0 0 35 87 1 1 0 0 0 30 88 1 1 0 0 0 29 89 1 1 0 0 0 M CHG 2 76 -1 90 1 M END > DBSALT001165 > drugbank > [Na+].CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1)[C@H](O)CC(N)=O > InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1 > KOOAFHGJVIVFMZ-WZPXRXMFSA-M > C56H70N9NaO23S > 1292.27 > 1291.420295 > 22 > 160 > 127.43870906974554 > 0 > 15 > 0 > 0 > sodium 5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzamido)-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl sulfate > 1.10 > -6.338448322891082 > -3.78 > 1 > 7 > -1 > 10.049824673608214 > -2.188257305264612 > -3.558083874308431 > 512.97 > 301.9493 > 18 > 0 > 2.15e-01 g/l > sodium 5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzamido)-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl sulfate > 0 > DBSALT001165 > Micafungin sodium > DB01141 > Micafungin > 208538-73-2 > IS1UP79R56 $$$$