56841795 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 78 17 17 17 17 15 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 42 -1 43 -1 1 1 1 1 2 3 6 6 6 6 7 7 8 8 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 23 24 24 25 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 35 35 36 36 36 37 37 38 39 39 40 40 41 41 41 42 42 43 43 44 44 44 44 45 45 46 46 47 47 47 48 48 49 49 49 50 51 51 52 52 53 53 53 54 55 55 56 56 56 57 59 59 60 60 60 61 61 62 62 62 63 63 65 65 65 66 66 66 67 67 67 68 68 69 69 69 70 70 71 71 72 72 72 73 73 75 75 75 76 76 77 77 78 78 78 79 79 79 80 81 81 82 82 82 83 83 84 84 85 85 85 86 87 87 87 88 88 88 89 89 90 90 90 91 91 92 93 93 94 94 94 95 95 96 96 97 97 98 99 100 101 101 102 103 103 103 104 104 105 106 107 107 108 109 110 110 111 111 112 113 113 113 114 114 114 115 115 115 116 116 117 117 117 118 118 118 119 119 120 120 121 121 121 122 122 122 123 124 126 4 5 42 43 119 120 25 26 34 35 48 141 50 145 58 64 79 71 173 74 85 74 88 93 93 97 87 195 96 203 98 204 100 205 99 104 207 105 106 109 113 116 125 45 52 56 46 54 60 58 151 152 70 73 76 68 80 167 95 201 202 117 118 114 217 37 121 122 38 234 123 123 126 124 126 125 236 237 238 239 240 241 45 46 49 51 47 127 48 128 50 53 55 50 58 52 129 130 131 54 59 132 133 62 134 135 61 57 136 57 137 138 139 63 140 142 143 144 64 146 147 148 149 64 65 66 67 150 69 70 153 68 74 154 72 155 71 156 157 158 159 73 78 75 77 160 161 162 76 163 164 165 166 80 81 82 168 169 170 171 172 83 84 174 175 176 177 86 178 86 179 180 181 182 183 89 90 99 89 91 184 185 186 92 187 188 92 98 100 94 189 95 190 191 96 192 97 193 103 194 101 104 102 102 105 106 196 197 198 199 200 107 108 108 109 110 111 112 206 112 208 209 210 211 212 115 213 214 116 215 216 218 219 119 220 221 120 222 223 224 225 226 227 228 229 230 231 232 233 124 125 235 1 1 6 6 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 25 26 34 35 3 1 44 45 46 49 51 1 1 45 28 47 44 127 2 1 46 29 48 44 128 2 1 47 45 50 53 55 1 1 48 7 46 50 58 1 1 50 8 48 47 131 2 1 65 63 66 67 150 1 1 66 65 69 70 153 1 1 67 65 74 68 154 2 1 68 32 67 72 155 3 1 71 11 69 73 78 1 1 72 68 75 77 160 3 1 87 16 90 89 99 2 1 88 14 89 91 184 1 1 93 14 94 15 189 2 1 95 33 94 96 192 1 1 96 17 95 97 193 1 1 97 15 103 96 194 2 1 38 -1 37 123 124 39 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 17.1334 2.6968 5.6968 17.8405 17.8405 5.6968 19.213 17.9455 18.7972 19.3154 20.3661 15.0587 16.1882 4.001 2.269 5.2925 0.5369 4.8878 8.3748 5.8058 7.8056 5.7143 9.2616 6.5769 6.5628 6.1968 17.5956 15.5191 18.5985 19.9561 17.9494 14.7858 2.269 5.1968 4.8308 15.0073 15.9584 16.7015 17.9616 19.2706 19.3276 16.4263 16.4263 17.0588 16.4333 17.9731 16.7222 18.2619 16.6737 17.6365 17.3954 15.2302 17.0312 18.3097 16.0967 14.8936 15.1825 19.0051 17.1065 19.5496 18.9351 16.3621 17.732 18.6463 17.423 18.211 16.4236 15.6804 19.2118 18.4189 19.5781 15.5413 18.964 16.049 16.0712 17.0223 14.5619 20.5053 20.2936 14.0959 14.026 21.2933 13.0618 12.9909 14.6841 12.5056 5.7791 4.8671 4.8711 6.671 5.7711 6.6429 3.135 3.135 2.269 1.403 1.403 5.7596 6.2924 7.5031 6.6198 7.4915 0.5369 7.2923 6.5917 8.3956 7.4835 8.3916 7.4543 9.3333 8.3833 9.3291 6.5538 4.8308 5.6968 6.5628 4.1968 5.6968 3.6968 5.1968 14.2642 14.7994 17.6526 18.4616 18.4616 18.9616 16.1707 18.8045 17.25 16.4325 18.2429 14.997 14.6478 17.4129 17.5786 16.2883 14.5119 14.3462 14.7676 16.5001 19.3419 19.7412 20.1392 19.358 17.5306 19.5416 15.9013 15.9472 16.8228 18.2358 20.4169 20.085 18.9318 16.7613 15.5934 19.2135 19.8215 18.9629 18.8599 15.2884 19.519 18.7947 16.0568 15.4733 17.4096 16.6696 14.6771 20.1767 20.966 20.1647 20.9 20.4225 20.2798 14.3229 21.675 21.7819 20.9116 12.7776 12.664 14.1093 14.4519 15.259 11.8861 4.3307 4.2598 4.6643 6.8957 7.2788 3.135 3.3471 3.7456 2.8059 0.866 1.403 4.6726 0.8469 0 0.2269 7.8716 7.1752 1.732 2.8059 0 4.8807 8.382 9.8702 8.4255 8.3737 9.8636 7.1736 6.5395 5.934 4.6187 4.2202 6.0953 5.2983 4.2938 7.1734 6.7749 4.3045 3.6142 6.1718 6.1718 3.5892 4.2794 4.7219 4.7219 13.8493 13.8034 14.679 15.4058 14.6705 14.1929 16.0873 19.326 19.3276 19.8645 16.5868 15.8274 16.5868 15.8274 1.306 3.7285 1.9964 2.0131 0.5989 5.4605 7.5921 5.6374 5.6358 12.0824 14.857 11.4532 10.6021 13.7351 13.7351 10.8095 11.7351 15.2424 13.2826 9.9513 9.9822 16.7835 14.7898 18.4062 5.9605 4.5945 21.4022 7.8661 8.8666 6.9229 14.9614 12.7552 10.7351 4.5945 5.9605 19.2633 18.9543 19.6234 18.3633 19.3144 21.4022 0.5989 2.0131 8.3664 7.6717 8.172 6.7828 7.283 9.402 6.5884 9.95 8.755 5.8317 9.7556 6.0881 7.1714 6.2825 6.6139 10.8389 9.1757 10.4502 5.0886 11.5335 11.3392 12.4846 13.1003 12.5195 13.1886 13.2907 14.0784 14.2413 14.1789 15.0541 11.5923 15.027 15.336 14.349 13.8667 11.8744 13.4709 15.235 14.4824 13.4179 15.2059 10.526 14.2913 11.6832 13.2351 12.1935 12.2213 13.7525 13.2625 13.2351 12.2351 11.7351 12.2351 13.2351 14.7524 10.825 13.7725 15.2624 14.7724 13.7351 10.8404 16.3036 15.2898 16.8418 16.3314 17.9263 16.8703 18.4869 17.9553 19.4059 6.9605 7.4605 6.9605 4.5945 3.7285 3.7285 2.8625 18.5942 20.2415 19.3144 19.9022 20.9022 18.3633 8.4801 7.9953 9.6307 9.9731 6.4595 9.3295 8.5425 5.3431 6.1228 5.4985 7.66 6.8804 5.8217 10.9678 8.1985 8.586 9.3673 9.7653 5.1766 10.3213 5.5034 4.6278 4.6737 12.2361 6.5081 7.5294 12.6498 11.9995 12.5748 12.6707 13.1782 13.781 14.5143 14.745 15.3304 15.6506 15.6468 15.1909 15.8201 15.8459 12.1448 13.3409 13.4519 11.268 11.7455 12.4809 15.471 15.7793 13.9938 14.8641 14.9709 12.8669 15.7327 10.7582 9.9511 10.2937 14.2667 12.9241 12.2973 11.609 11.6434 12.3438 13.8551 11.6525 12.3428 11.4251 12.5451 13.8551 10.8 14.2721 14.0451 13.1982 11.0614 11.4492 10.4251 10.4251 12.0451 15.8623 12.6626 16.5603 9.9917 19.1068 18.2694 19.4203 20.0258 19.3916 7.5431 6.8529 7.9355 7.9355 5.6505 6.8529 7.5431 5.2051 4.8066 3.33 4.127 3.1179 3.5164 3.261 2.4639 19.0549 18.1793 18.1334 20.3704 20.8479 20.1125 18.3478 17.8618 22.0222 21.0922 0 0.7593 2.612 1.8526 3 6 5 6 5 6 6 8 8 8 8 8 8 5 5 5 3 5 3 8 8 8 8 8 8 6 6 8 8 8 5 6 6 6 8 8 8 8 8 8 8 8 8 6 44 45 46 47 48 50 51 51 54 59 61 63 65 66 67 68 71 72 77 77 80 81 83 84 87 88 91 91 92 93 95 96 97 98 100 101 107 107 108 109 110 111 34 49 127 128 53 7 8 54 59 61 63 64 64 150 153 74 32 11 75 80 81 83 84 86 86 16 14 92 98 100 14 33 17 103 101 102 102 108 109 110 111 112 112 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3050 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 33 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 16 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 20 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07FFE02070000000000000400000000000162C588003C78D1830000000058C15400001E02188820000F7FF1984733CE83C20710A843A7F37C8282080125220008A8816E6CC81F373EC6F59BE6716867F019DFF987FBFDFFDFE9000302001A0000D28006140834A000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;azanide;N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;dichloroplatinum(2+);(5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide;methyl (13R,14S,15R,17S)-14-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9-triene-13-carboxylate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;azanide;N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphorinan-2-amine;(13R,14S,15R,17S)-14-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9-triene-13-carboxylic acid methyl ester;dichloroplatinum(2+);(5Z)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (7<I>S</I>,9<I>S</I>)-7-[(2<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>S</I>)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7<I>H</I>-tetracene-5,12-dione;azanide;<I>N</I>,<I>N</I>-bis(2-chloroethyl)-2-oxo-1,3,2&lambda;<SUP>5</SUP>-oxazaphosphinan-2-amine;dichloroplatinum(2+);(5<I>Z</I>)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;methyl (13<I>R</I>,14<I>S</I>,15<I>R</I>,17<I>S</I>)-14-[(1<I>R</I>,9<I>R</I>,10<I>S</I>,11<I>R</I>,12<I>R</I>,19<I>R</I>)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0<SUP>1,9</SUP>.0<SUP>2,7</SUP>.0<SUP>16,19</SUP>]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0<SUP>4,12</SUP>.0<SUP>5,10</SUP>]nonadeca-5,7,9-triene-13-carboxylate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;azanide;N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;dichloroplatinum(2+);(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;methyl (13R,14S,15R,17S)-14-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9-triene-13-carboxylate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azanide;(7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione;bis(chloranyl)platinum(2+);N,N-bis(2-chloroethyl)-2-oxidanylidene-1,3,2lambda5-oxazaphosphinan-2-amine;(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;methyl (13R,14S,15R,17S)-14-[(1R,9R,10S,11R,12R,19R)-10-aminocarbonyl-12-ethyl-5-methoxy-8-methyl-10,11-bis(oxidanyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-oxidanyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9-triene-13-carboxylate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;azanide;bis(2-chloroethyl)-(2-keto-1,3,2lambda5-oxazaphosphorinan-2-yl)amine;(13R,14S,15R,17S)-14-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9-triene-13-carboxylic acid methyl ester;dichloroplatinum(2+);(5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C43H57N5O7.C27H29NO11.C7H15Cl2N2O2P.C6H10N6O.2ClH.2H2N.Pt/c1-6-40(52)21-24-22-47(23-40)17-13-26-25-11-8-9-12-29(25)45-34(26)33(35(49)55-5)32(24)27-19-28-30(20-31(27)54-4)46(3)37-42(28)15-18-48-16-10-14-41(7-2,36(42)48)38(50)43(37,53)39(44)51;1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;1-12(2)11-10-6-4(5(7)13)8-3-9-6;;;;;/h8-12,14,19-20,24,26,32-34,36-38,45,50,52-53H,6-7,13,15-18,21-23H2,1-5H3,(H2,44,51);3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1-7H2,(H,10,12);3,11H,1-2H3,(H2,7,13);2*1H;2*1H2;/q;;;;;;2*-1;+4/p-2/b;;;10-6-;;;;;/t24-,26?,32+,33+,34?,36-,37+,38+,40-,41+,42+,43-;10-,13-,15-,17-,22+,27-;;;;;;;/m00......./s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HFUPKTXIMIJCKC-KYMFECRISA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 2039.653287 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C83H115Cl4N16O21PPt Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 2040.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1(CC2CN(C1)CCC3C(C(C2C4=CC5=C(C=C4OC)N(C6C57CCN8C7C(C=CC8)(C(C6(C(=O)N)O)O)CC)C)C(=O)OC)NC9=CC=CC=C39)O.CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.CN(C)NN=C1C(=NC=N1)C(=O)N.C1CNP(=O)(OC1)N(CCCl)CCCl.[NH2-].[NH2-].Cl[Pt+2]Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC[C@@]1(C[C@H]2CN(C1)CCC3C([C@@H]([C@H]2C4=CC5=C(C=C4OC)N([C@@H]6[C@]57CCN8[C@H]7[C@@](C=CC8)([C@H]([C@@]6(C(=O)N)O)O)CC)C)C(=O)OC)NC9=CC=CC=C39)O.C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.CN(C)N/N=C\1/C(=NC=N1)C(=O)N.C1CNP(=O)(OC1)N(CCCl)CCCl.[NH2-].[NH2-].Cl[Pt+2]Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 506 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 2037.656237 126 19 16 3 1 1 0 0 7 -1