Mrv1909 03042003582D 209194 0 0 0 0 999 V2000 9.0312 -2.1092 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 8.0299 12.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 12.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 12.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 12.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4025 11.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 11.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 10.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 10.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 9.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 9.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7263 9.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 9.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5009 8.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 7.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 8.4505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 7.7210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6971 7.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5204 7.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 6.2912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 -18.8421 -6.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.5267 -7.4658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.3312 -7.9993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.4568 -9.3331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.6347 -9.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6347 -10.7607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.4568 -11.2348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -20.4433 -10.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4433 -9.7115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.2652 -11.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.4568 -12.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6347 -12.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8079 -12.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8079 -11.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1260 -11.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8079 -9.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.2789 -8.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1531 -7.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4799 -7.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0289 0.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6487 7.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0701 8.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8938 8.5948 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -13.6684 9.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 -4.8753 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 22 26 1 1 0 0 0 21 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 30 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 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 1 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 42 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 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 6 0 0 0 55 57 1 0 0 0 0 54 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 1 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 61 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 67 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 76 81 1 0 0 0 0 80 82 2 0 0 0 0 79 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 86 85 1 0 0 0 0 78 86 1 0 0 0 0 79 87 1 1 0 0 0 77 88 2 0 0 0 0 76 89 1 6 0 0 0 75 90 1 6 0 0 0 71 91 1 6 0 0 0 41 92 1 0 0 0 0 17 93 1 6 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 96 2 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 114115 1 0 0 0 0 115116 1 0 0 0 0 116118 1 0 0 0 0 116117 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 2 0 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 126127 2 0 0 0 0 126128 1 0 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129205 1 6 0 0 0 130131 2 0 0 0 0 130132 1 0 0 0 0 132133 1 0 0 0 0 133134 1 1 0 0 0 133139 1 0 0 0 0 134135 1 0 0 0 0 134138 1 1 0 0 0 135136 1 0 0 0 0 135137 2 0 0 0 0 139140 2 0 0 0 0 139141 1 0 0 0 0 141142 1 0 0 0 0 142143 1 6 0 0 0 142147 1 0 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 147148 2 0 0 0 0 147149 1 0 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 151152 2 0 0 0 0 151153 1 0 0 0 0 153154 1 0 0 0 0 153204 1 0 0 0 0 154155 1 1 0 0 0 154159 1 0 0 0 0 155156 1 0 0 0 0 156157 2 0 0 0 0 156158 1 0 0 0 0 159160 2 0 0 0 0 159161 1 0 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 163164 2 0 0 0 0 163165 1 0 0 0 0 165166 1 0 0 0 0 166167 1 1 0 0 0 166170 1 0 0 0 0 167168 1 6 0 0 0 167169 1 0 0 0 0 170171 2 0 0 0 0 170172 1 0 0 0 0 172173 1 0 0 0 0 173174 1 1 0 0 0 173177 1 0 0 0 0 174175 1 0 0 0 0 174176 1 0 0 0 0 177178 2 0 0 0 0 177179 1 0 0 0 0 179180 1 0 0 0 0 179183 1 0 0 0 0 180181 1 0 0 0 0 181182 1 0 0 0 0 182183 1 0 0 0 0 183184 1 0 0 0 0 183203 1 6 0 0 0 184185 2 0 0 0 0 184186 1 0 0 0 0 186187 1 0 0 0 0 187188 1 0 0 0 0 187202 1 6 0 0 0 188189 1 0 0 0 0 188193 1 0 0 0 0 188201 1 6 0 0 0 189190 1 0 0 0 0 189200 2 0 0 0 0 190191 1 0 0 0 0 190198 1 0 0 0 0 192191 1 0 0 0 0 191195 1 0 0 0 0 191199 1 1 0 0 0 193192 1 0 0 0 0 192194 2 0 0 0 0 195196 1 0 0 0 0 196197 1 0 0 0 0 198197 1 0 0 0 0 205206 1 0 0 0 0 206207 1 0 0 0 0 206208 2 0 0 0 0 M CHG 8 1 2 24 -1 33 -1 46 -1 95 -1 98 1 99 2 100 2 M CHG 5 136 -1 145 -1 158 -1 207 -1 209 1 M END > DBSALT002943 > drugbank > [H+].[H+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Ca++].[Ca++].[Ca++].[H]N([C@@H](CC([O-])=O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](C)[C@]1([H])NC(=O)[C@@]2([H])CCCCN2C1=O)C(=O)CNC(=O)[C@H](CC([O-])=O)NC(=O)[C@@H](NC(=O)[C@H](CC([O-])=O)NC(=O)C\C=C\CCCCCC(C)CC)[C@@H](C)C([O-])=O.[H]N([C@@H](CC([O-])=O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](C)[C@]1([H])NC(=O)[C@@]2([H])CCCCN2C1=O)C(=O)CNC(=O)[C@H](CC([O-])=O)NC(=O)[C@@H](NC(=O)[C@H](CC([O-])=O)NC(=O)C\C=C\CCCCCC(C)CC)[C@@H](C)C([O-])=O > InChI=1S/2C58H91N13O20.3Ca.14H2O/c2*1-8-30(4)18-13-11-9-10-12-14-21-39(72)63-36(26-44(79)80)51(83)68-46(31(5)58(90)91)54(86)65-35(25-43(77)78)50(82)60-27-40(73)64-34(24-42(75)76)49(81)61-28-41(74)66-47(32(6)59)55(87)67-45(29(2)3)56(88)71-23-17-20-38(71)52(84)62-33(7)48-57(89)70-22-16-15-19-37(70)53(85)69-48;;;;;;;;;;;;;;;;;/h2*12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H,60,82)(H,61,81)(H,62,84)(H,63,72)(H,64,73)(H,65,86)(H,66,74)(H,67,87)(H,68,83)(H,69,85)(H,75,76)(H,77,78)(H,79,80)(H,90,91);;;;14*1H2/q;;3*+2;;;;;;;;;;;;;;/p-6/b2*14-12+;;;;;;;;;;;;;;;;;/t2*30?,31-,32+,33+,34+,35+,36+,37-,38+,45+,46+,47-,48+;;;;;;;;;;;;;;;;;/m11................./s1 > UVLNWXGLWVMUGD-AKDFLIFVSA-H > C116H204Ca3N26O54 > 2947.27 > 2945.2893929 > 21 > 403 > -3.0421738995565035 > 129.5110432902179 > 0 > 11 > 0 > 0 > tricalcium dihydrogen bis((2R,3S)-3-{[(1S)-1-[({[(1S)-1-[({[(1R,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-[(3S,9aR)-1,4-dioxo-octahydro-1H-pyrido[1,2-a]pyrazin-3-yl]ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-aminopropyl]carbamoyl}methyl)carbamoyl]-2-carboxylatoethyl]carbamoyl}methyl)carbamoyl]-2-carboxylatoethyl]carbamoyl}-3-[(2S)-3-carboxylato-2-[(3E)-10-methyldodec-3-enamido]propanamido]-2-methylpropanoate) tetradecahydrate > 2.58 > -6.789881763352252 > -4.77 > 1 > -3 > 6 > -3 > 3.405099065604011 > 2.9583066569666423 > 8.325265514653822 > 518.1599999999999 > 358.7078000000002 > 76 > 0 > 4.66e-02 g/l > 4,4'-dihydroxy-10,10'-dioxo-5,5'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid > 0 > DBSALT002943 > Amphomycin calcium > DB11499 > Amphomycin > 1405-31-8 > S0NID0OHJY $$$$