Mrv0541 02231215162D 89 95 0 0 0 0 999 V2000 0.8659 -1.4342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -4.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2357 -0.6982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2388 -2.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 -3.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1049 -5.0253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7917 -2.8564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7961 -2.7818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1716 -3.5976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 -4.7885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8008 -1.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7245 -4.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 -0.7017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 -8.2933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -4.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5211 -1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9037 1.7199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7711 -5.7753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5689 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1219 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 0.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7135 1.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 -0.1152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5204 -0.7213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5434 -7.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 -0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -0.2933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0868 -0.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2406 -0.3128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.8195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3654 -7.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4069 -2.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 -5.8650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3910 -6.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -6.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 -4.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -5.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0922 -0.7135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2358 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 -2.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 -2.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -8.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 -7.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9393 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 0.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0957 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 -8.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0963 -4.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4585 -3.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2283 -1.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 -1.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5082 -3.1986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4800 -5.2887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1023 -7.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0381 -9.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6747 -2.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -8.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 0.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3761 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0963 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4238 1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2701 0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2547 -6.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 -1.3206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 0.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3842 0.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 -5.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4734 -3.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5803 0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -1.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2453 1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0903 0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -8.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 -5.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 -2.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 -0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4017 0.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5048 -4.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7332 0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2480 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0929 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5787 -1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4249 -2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 17 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 13 1 1 0 0 0 7 4 1 1 0 0 0 3 8 1 1 0 0 0 9 12 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 18 1 0 0 0 0 13 10 1 0 0 0 0 14 8 1 0 0 0 0 15 34 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 1 0 0 0 18 27 1 0 0 0 0 19 24 2 0 0 0 0 20 6 1 0 0 0 0 21 24 1 0 0 0 0 22 1 1 0 0 0 0 23 21 2 0 0 0 0 24 51 1 0 0 0 0 25 19 1 0 0 0 0 26 3 1 0 0 0 0 27 38 1 6 0 0 0 28 39 1 0 0 0 0 29 32 1 0 0 0 0 30 14 1 0 0 0 0 31 22 1 0 0 0 0 32 27 1 0 0 0 0 33 7 1 0 0 0 0 34 28 1 0 0 0 0 35 33 1 0 0 0 0 36 20 1 0 0 0 0 37 36 1 0 0 0 0 38 42 1 0 0 0 0 39 37 2 0 0 0 0 40 2 1 0 0 0 0 41 17 1 0 0 0 0 42 30 1 0 0 0 0 43 35 1 0 0 0 0 44 5 2 0 0 0 0 45 4 2 0 0 0 0 46 15 2 0 0 0 0 47 15 2 0 0 0 0 48 23 1 0 0 0 0 49 29 1 0 0 0 0 50 8 2 0 0 0 0 51 65 2 0 0 0 0 52 62 1 0 0 0 0 53 13 2 0 0 0 0 54 16 2 0 0 0 0 55 18 2 0 0 0 0 56 29 2 0 0 0 0 57 9 1 0 0 0 0 58 41 1 0 0 0 0 59 37 1 0 0 0 0 60 15 1 0 0 0 0 61 43 2 0 0 0 0 62 59 2 0 0 0 0 63 49 1 0 0 0 0 64 49 2 0 0 0 0 65 64 1 0 0 0 0 66 63 2 0 0 0 0 67 48 1 0 0 0 0 68 48 2 0 0 0 0 20 69 1 6 0 0 0 70 43 1 0 0 0 0 26 71 1 6 0 0 0 30 72 1 6 0 0 0 36 73 1 6 0 0 0 33 74 1 6 0 0 0 75 78 2 0 0 0 0 42 76 1 1 0 0 0 77 67 2 0 0 0 0 78 68 1 0 0 0 0 79 52 1 0 0 0 0 58 80 1 6 0 0 0 57 81 1 6 0 0 0 31 82 1 6 0 0 0 83 75 1 0 0 0 0 84 57 1 0 0 0 0 85 83 1 0 0 0 0 86 85 1 0 0 0 0 87 88 1 0 0 0 0 88 86 1 0 0 0 0 89 87 1 0 0 0 0 26 31 1 0 0 0 0 58 40 1 0 0 0 0 9 5 1 1 0 0 0 28 52 2 0 0 0 0 66 51 1 0 0 0 0 23 25 1 0 0 0 0 77 75 1 0 0 0 0 M END > DB01141 > drugbank > 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(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O > InChI=1S/C56H71N9O23S/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)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1 > PIEUQSKUWLMALL-YABMTYFHSA-N > C56H71N9O23S > 1270.274 > 1269.438350313 > 22 > 160 > -1.0011403321163 > 128.65969412796323 > 0 > 16 > 0 > 0 > {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}oxidanesulfonic acid > 0.67 > -6.338448322891082 > -3.77 > 1 > -1 > 7 > -1 > 10.049824673608214 > -2.188257305264612 > -3.5580838743084313 > 510.1400000000001 > 303.07099999999997 > 18 > 0 > 2.18e-01 g/l > tetrahydrofolic acid > 0 > DB01141 > APRD01114 > approved; investigational > Micafungin > Micafungin; Micafungina > Micafungin; Micafungin Sodium for Injection; Micafungin for Injection; Micafungin in Sodium Chloride; Mycamine > Micafungin sodium $$$$