Mrv1909 06282222592D 132145 0 0 0 0 999 V2000 3.1986 -4.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1974 -5.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 -5.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 -4.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 -4.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 -2.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -2.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -3.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 -2.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 -1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2146 -5.7603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2146 -6.5853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5026 -6.9937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7906 -6.5853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7906 -5.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 -5.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -3.2797 0.0000 C 0 0 0 0 0 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-6.0521 4.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 5.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1979 4.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 3.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 3.8312 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 6.5771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 7.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6354 -1.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6521 -2.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4313 -2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6563 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3604 -4.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 -4.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 -2.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 -4.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9313 -5.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9313 -6.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 -7.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -6.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3688 -6.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 -3.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0562 -3.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 -4.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3396 -5.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0521 -5.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7646 -5.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 -6.5645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 14 15 1 0 0 0 0 63 68 1 1 0 0 0 33 34 1 0 0 0 0 67 69 1 1 0 0 0 15 16 1 0 0 0 0 66 70 1 6 0 0 0 34 35 1 0 0 0 0 65 71 1 1 0 0 0 16 17 1 0 0 0 0 71 72 1 0 0 0 0 35 36 1 6 0 0 0 17 18 1 0 0 0 0 73 74 2 0 0 0 0 36 37 1 0 0 0 0 74 75 1 0 0 0 0 4 5 1 0 0 0 0 75 76 2 0 0 0 0 37 38 1 0 0 0 0 76 77 1 0 0 0 0 19118 2 0 0 0 0 77 78 2 0 0 0 0 78 73 1 0 0 0 0 79 80 1 0 0 0 0 38 39 1 1 0 0 0 9 10 2 0 0 0 0 39 40 1 0 0 0 0 118 20 1 0 0 0 0 40 41 1 0 0 0 0 2 3 1 0 0 0 0 79 84 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 41 42 1 1 0 0 0 20 21 2 0 0 0 0 85 86 2 0 0 0 0 42 43 1 0 0 0 0 73 87 1 0 0 0 0 87 85 1 0 0 0 0 10 11 1 0 0 0 0 43 44 1 0 0 0 0 88 89 1 0 0 0 0 89 49 2 0 0 0 0 49 86 1 0 0 0 0 21 22 1 0 0 0 0 85 90 1 0 0 0 0 90 88 2 0 0 0 0 44 45 1 1 0 0 0 5 6 2 0 0 0 0 91 92 1 0 0 0 0 32 46 1 0 0 0 0 92 93 2 0 0 0 0 22 23 2 0 0 0 0 81 94 1 1 0 0 0 80 91 1 6 0 0 0 46 94 1 6 0 0 0 34 47 2 0 0 0 0 46 95 1 0 0 0 0 23 19 1 0 0 0 0 95 96 1 0 0 0 0 37 48 2 0 0 0 0 95 97 2 0 0 0 0 11 12 2 0 0 0 0 97 98 1 0 0 0 0 38 49 1 0 0 0 0 98 99 2 0 0 0 0 12 7 1 0 0 0 0 99100 1 0 0 0 0 100 96 2 0 0 0 0 40 50 2 0 0 0 0 98101 1 0 0 0 0 24 25 2 0 0 0 0 88102 1 0 0 0 0 102 99 1 0 0 0 0 43 51 2 0 0 0 0 92103 1 0 0 0 0 13 14 1 0 0 0 0 79104 1 1 0 0 0 25 26 1 0 0 0 0 84105 1 6 0 0 0 52 53 1 0 0 0 0 83106 1 1 0 0 0 6 1 1 0 0 0 0 106107 1 0 0 0 0 90 68 1 0 0 0 0 53 54 1 0 0 0 0 78108 1 0 0 0 0 26 27 2 0 0 0 0 62109 1 6 0 0 0 109 61 1 0 0 0 0 54 55 1 0 0 0 0 61110 2 0 0 0 0 1 2 2 0 0 0 0 31111 1 0 0 0 0 55 56 1 0 0 0 0 111112 1 0 0 0 0 112 29 1 0 0 0 0 27 28 1 0 0 0 0 112113 1 6 0 0 0 56 57 1 0 0 0 0 113114 1 0 0 0 0 3 4 2 0 0 0 0 113115 2 0 0 0 0 57 58 1 0 0 0 0 25116 1 0 0 0 0 28 29 2 0 0 0 0 27117 1 0 0 0 0 35 23 1 0 0 0 0 58 59 1 0 0 0 0 28118 1 0 0 0 0 29 24 1 0 0 0 0 20119 1 0 0 0 0 117 18 1 0 0 0 0 59 60 1 0 0 0 0 13120 1 6 0 0 0 7 8 2 0 0 0 0 14121 1 6 0 0 0 60 61 1 0 0 0 0 15122 1 1 0 0 0 62 63 1 0 0 0 0 16123 1 6 0 0 0 123124 1 0 0 0 0 41 12 1 0 0 0 0 30 31 2 0 0 0 0 10125 1 0 0 0 0 125 6 1 0 0 0 0 8 9 1 0 0 0 0 8126 1 0 0 0 0 31 32 1 0 0 0 0 1127 1 0 0 0 0 13 18 1 0 0 0 0 4128 1 0 0 0 0 32 33 1 6 0 0 0 128129 1 0 0 0 0 62 67 1 0 0 0 0 129130 2 0 0 0 0 63 64 1 0 0 0 0 128131 1 6 0 0 0 129 45 1 0 0 0 0 64 65 1 0 0 0 0 76132 1 0 0 0 0 44132 1 0 0 0 0 M END > DB06149 > drugbank > CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC1=C2OC3=C(Cl)C=C(C=C3)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](CC6=CC=C(OC1=CC4=C2)C(Cl)=C6)NC(=O)[C@H](N)C1=CC=C(O)C(OC2=CC(O)=CC5=C2)=C1)C1=CC=C(O)C(=C1)C1=C(C=C(O)C=C1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](NC3=O)C(O)=O > InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88?/m1/s1 > BJNLLBUOHPVGFT-CAYRISATSA-N > C88H97Cl2N9O33 > 1879.67 > 1877.556582 > 31 > 229 > 1.1209405288029435 > 181.3831072448137 > 0 > 24 > 0 > 0 > (1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,63-dichloro-64-{[(2S,3R,4R,5S,6R)-3-decanamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46(51),47,49,62,65-henicosaene-52-carboxylic acid > -2.2579892983890915 > 1 > 1 > 14 > 1 > 8.179043692453837 > 3.036152949236535 > 7.087995065723067 > 662.4100000000001 > 450.9074 > 20 > 0 > (1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,63-dichloro-64-{[(2S,3R,4R,5S,6R)-3-decanamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46(51),47,49,62,65-henicosaene-52-carboxylic acid > 0 > DB06149 > approved; investigational > Teicoplanin > Teichomycin A2; Teicoplanin; teicoplanina; téicoplanine; teicoplaninum > Targocid $$$$