Molecular Formula: C₆₃H₆₆BrN₂₉O₁₉

Molecular weight: 1613.28504

InChi: InChI=1S/C42H42N28O14.C21H24NO5.BrH/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73;23-10-7-22(8-11-24,9-12-25)14-15-5-6-18-19(13-15)21(27)17-4-2-1-3-16(17)20(18)26;/h15-28H,1-14H2;1-6,13,23-25H,7-12,14H2;1H/q;+1;/p-1/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+;;

InChi Key: KONQSTVVELLRKD-AGNAEYGZSA-M

SMILES: [Br-].[N+](Cc1cc2c(cc1)C(=O)c1c(C2=O)cccc1)(CCO)(CCO)CCO.[C@H]12[C@@H]3N4C(=O)N1CN1[C@@H]5N6CN2C(=O)N3CN2[C@@H]3N(C4)C(=O)N4[C@@H]3N(C2=O)CN2[C@@H]3N(C4)C(=O)N4[C@@H]3N(C2=O)CN2[C@@H]3N(C4)C(=O)N4[C@@H]3N(C2=O)CN2C(=O)N3CN7C(=O)N8CN(C6=O)[C@@H]5N(C1=O)CN1[C@H]8[C@H]7N(C1=O)CN1[C@H]3[C@H]2N(C1=O)C4

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