Mrv0541 04211314522D 122130 0 0 0 0 999 V2000 -9.5777 3.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2470 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8666 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5777 4.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2470 2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9163 3.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8666 2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1555 3.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9085 5.5381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5777 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6692 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4444 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9085 6.3329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1974 5.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5777 1.1879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.6692 2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3384 3.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4444 2.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8287 7.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1974 6.7511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4863 5.5381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2052 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8666 0.7696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3803 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9581 2.0245 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -13.0495 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0222 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 4.4505 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8248 8.5498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4863 6.3747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1974 7.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7752 5.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9163 1.1879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2052 -0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1555 1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0495 2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0222 2.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8248 9.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1137 8.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7752 6.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9386 5.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6273 0.7696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4444 0.7696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1555 1.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7606 2.0245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3111 1.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1137 9.7628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4026 8.5080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.6273 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3384 1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 1.1879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1555 0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7606 1.2297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.4717 2.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3111 1.1879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6001 2.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4026 9.3446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6993 10.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5281 10.3066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6915 8.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3384 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9163 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0495 0.8114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9241 1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0222 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1555 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4717 0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6419 0.7696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6915 9.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3384 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9163 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0222 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4444 -0.8618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8666 -0.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4717 -0.0252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1828 1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9308 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0495 -1.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6273 -1.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7606 -0.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2197 0.7696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9308 1.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7606 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0495 -2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6273 -2.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1410 -1.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2197 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 1.1460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4717 -1.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7606 -2.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3384 -2.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.9358 -1.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1410 -1.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9308 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4717 -2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9308 -1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1828 -2.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3189 11.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7606 -3.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0495 -4.0826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2966 -3.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5855 -4.0826 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -10.8744 -3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5855 -4.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8744 -4.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6079 11.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8549 11.1014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1438 11.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4327 11.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 11.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 11.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 11.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5047 11.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 11.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 11.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 11.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 11.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 4.3251 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 31 20 1 1 0 0 0 21 32 1 0 0 0 0 21 33 1 1 0 0 0 22 34 1 1 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 28 39 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 32 42 1 6 0 0 0 34 43 1 0 0 0 0 44 35 1 6 0 0 0 37 45 1 0 0 0 0 37 46 2 0 0 0 0 38 47 1 0 0 0 0 39 48 1 0 0 0 0 40 49 1 0 0 0 0 41 50 1 0 0 0 0 44 51 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 45 54 1 1 0 0 0 47 55 1 0 0 0 0 47 56 1 6 0 0 0 48 57 1 0 0 0 0 48 58 1 1 0 0 0 49 59 1 0 0 0 0 49 60 1 1 0 0 0 49 61 1 6 0 0 0 50 62 1 6 0 0 0 51 63 1 0 0 0 0 51 64 2 0 0 0 0 52 65 1 0 0 0 0 52 66 2 0 0 0 0 53 67 1 0 0 0 0 54 68 1 0 0 0 0 55 69 1 0 0 0 0 57 70 1 1 0 0 0 59 71 1 6 0 0 0 63 72 2 0 0 0 0 64 73 1 0 0 0 0 67 74 2 0 0 0 0 68 75 1 0 0 0 0 68 76 2 0 0 0 0 69 77 1 0 0 0 0 69 78 2 0 0 0 0 70 79 1 0 0 0 0 72 80 1 0 0 0 0 72 81 1 0 0 0 0 77 82 1 0 0 0 0 79 83 1 0 0 0 0 79 84 2 0 0 0 0 80 85 2 0 0 0 0 80 86 1 0 0 0 0 81 87 1 0 0 0 0 82 88 1 6 0 0 0 83 89 1 0 0 0 0 83 90 1 6 0 0 0 85 91 1 0 0 0 0 86 92 2 0 0 0 0 86 93 1 0 0 0 0 88 94 1 0 0 0 0 88 95 2 0 0 0 0 89 96 1 0 0 0 0 90 97 1 0 0 0 0 91 98 2 0 0 0 0 96 99 1 0 0 0 0 96100 1 0 0 0 0 98101 1 0 0 0 0 7 10 2 0 0 0 0 22 32 1 0 0 0 0 27 38 2 0 0 0 0 30 39 2 0 0 0 0 50 59 1 0 0 0 0 55 65 1 6 0 0 0 57 67 1 0 0 0 0 73 81 2 0 0 0 0 82 85 1 0 0 0 0 92 98 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 9 4 1 1 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 61102 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 6 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 1 0 0 0 92103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106108 2 0 0 0 0 106109 1 0 0 0 0 102110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 M END > DBSALT000170 > drugbank > Cl.CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C3OC4=CC=C(C=C4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]4C(C=C2OC2=CC=C(C=C2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC4=O)C4=CC=C(O)C(=C4)C4=C(C=C(O)C(CNCP(O)(O)=O)=C4O)[C@H](NC2=O)C(O)=O)=C3)O[C@@H](C)[C@H]1O > InChI=1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1 > GSSIWSIRBWAZHG-ACOPVEIWSA-N > C80H107Cl3N11O27P > 1792.096 > 1789.614106906 > 29 > 229 > 0.6424002408219355 > 175.12537490615688 > 0 > 23 > 0 > 0 > (1S,2R,18R,19R,22S,25R,28R,40S)-22-(carbamoylmethyl)-47,49-dichloro-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-{[2-(decylamino)ethyl]amino}-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-36-{[(phosphonomethyl)amino]methyl}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8,10,12(48),14,16,29,31,33(45),34(39),35,37,46,49-pentadecaene-40-carboxylic acid hydrochloride > 2.32 > -6.162542770621307 > -5.08 > 1 > 0 > 10 > 0 > 3.1551198330638965 > 1.5501921533565575 > 9.992810425153209 > 598.0899999999999 > 429.4118 > 30 > 0 > 1.48e-02 g/l > biotin > 0 > DBSALT000170 > Telavancin hydrochloride > DB06402 > Telavancin > 560130-42-9 > 0701472ZG0 $$$$