Mrv1718012141811582D 83 89 0 0 0 0 999 V2000 -4.8728 0.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 -0.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5341 0.2265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7385 1.0320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5646 1.0829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8366 0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 0.9752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9013 0.9717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1492 0.2006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 -0.1929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1489 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 -1.4012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 -1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -2.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8555 -2.2048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5571 -2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 -3.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 -3.4095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 -3.9432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8525 -4.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -4.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8774 -3.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5761 -3.9423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -3.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9739 -3.9423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6684 -3.5404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3673 -3.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0668 -3.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7718 -3.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7752 -4.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0672 -5.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3643 -4.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4680 -5.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 -2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6725 -2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9779 -4.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -0.2137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3297 -0.6154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9401 -1.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 1.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3498 -5.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2791 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 -1.8134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 -2.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 -1.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0073 1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -2.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0474 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3292 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5745 0.2182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0094 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2865 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4465 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 1.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5988 2.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3166 2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7516 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7534 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0316 3.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3169 3.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 3.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4515 4.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 5.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0169 4.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 5.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5821 4.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 13 1 1 0 0 0 15 16 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 8 43 1 6 0 0 0 17 20 1 0 0 0 0 7 44 1 6 0 0 0 19 20 1 0 0 0 0 6 7 1 0 0 0 0 23 45 1 6 0 0 0 20 21 1 0 0 0 0 26 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 46 48 2 0 0 0 0 23 19 1 0 0 0 0 10 49 2 0 0 0 0 7 8 1 0 0 0 0 21 24 1 1 0 0 0 40 50 1 6 0 0 0 8 9 1 0 0 0 0 17 51 2 0 0 0 0 47 46 1 0 0 0 0 4 52 1 6 0 0 0 2 3 1 0 0 0 0 5 53 1 6 0 0 0 3 4 1 0 0 0 0 15 54 1 0 0 0 0 4 5 1 0 0 0 0 41 55 1 0 0 0 0 5 1 1 0 0 0 0 41 56 1 6 0 0 0 1 2 1 0 0 0 0 11 57 1 6 0 0 0 24 25 1 0 0 0 0 57 58 1 0 0 0 0 26 25 1 1 0 0 0 58 59 1 0 0 0 0 26 27 1 0 0 0 0 58 60 2 0 0 0 0 27 28 1 0 0 0 0 59 61 2 0 0 0 0 28 29 1 0 0 0 0 61 62 1 0 0 0 0 29 30 1 0 0 0 0 62 63 2 0 0 0 0 29 34 2 0 0 0 0 63 64 1 0 0 0 0 30 31 2 0 0 0 0 64 65 2 0 0 0 0 65 59 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 66 67 2 0 0 0 0 33 34 1 0 0 0 0 67 68 1 0 0 0 0 32 35 1 0 0 0 0 68 69 2 0 0 0 0 24 36 2 0 0 0 0 69 70 1 0 0 0 0 3 10 1 1 0 0 0 70 71 2 0 0 0 0 71 66 1 0 0 0 0 63 66 1 0 0 0 0 28 37 1 6 0 0 0 10 9 1 0 0 0 0 72 73 2 0 0 0 0 27 38 1 6 0 0 0 73 74 1 0 0 0 0 2 39 1 0 0 0 0 74 75 2 0 0 0 0 6 11 1 0 0 0 0 75 76 1 0 0 0 0 39 40 1 0 0 0 0 76 77 2 0 0 0 0 77 72 1 0 0 0 0 69 72 1 0 0 0 0 40 41 1 0 0 0 0 75 78 1 0 0 0 0 11 12 1 0 0 0 0 78 79 1 0 0 0 0 12 13 1 0 0 0 0 79 80 1 0 0 0 0 39 42 2 0 0 0 0 80 81 1 0 0 0 0 40 47 1 0 0 0 0 81 82 1 0 0 0 0 12 14 2 0 0 0 0 82 83 1 0 0 0 0 M END > DB00362 > drugbank > [H][C@]1(NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C1=O)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O > InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1 > JHVAMHSQVVQIOT-MFAJLEFUSA-N > C58H73N7O17 > 1140.2369 > 1139.506293945 > 17 > 155 > 122.77898704189768 > 0 > 14 > 0 > 0 > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-4-[4'-(pentyloxy)-[1,1'-biphenyl]-4-yl]benzamide > 1.87 > -1.4572171509999994 > -4.31 > 1 > 7 > 0 > 11.029550725960197 > 9.457179266012721 > -3.484584020108345 > 377.41999999999985 > 292.29319999999984 > 14 > 0 > 5.64e-02 g/l > N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-4-[4'-(pentyloxy)-[1,1'-biphenyl]-4-yl]benzamide > 0 > DB00362 > APRD01301 > approved; investigational > Anidulafungin > Anidulafungin; Anidulafungina; Anidulafungine; Anidulafunginum > Ecalta; Eraxis; Gd-anidulafungin > Ecalta $$$$