7,20-bis(acridin-9-ylamino)-4,17-dimethyl-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontane-3,6,10,13,16,19,23,26-octone

Systemtic Name: 7,20-bis(acridin-9-ylamino)-4,17-dimethyl-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontane-3,6,10,13,16,19,23,26-octone Openeye Name: 7,20-bis(acridin-9-ylamino)-11,24-diisopropyl-4,17-dimethyl-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontane-3,6,10,13,16,19,23,26-octone CAS Name: 7,20-bis(9-acridinylamino)-4,17-dimethyl-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontane-3,6,10,13,16,19,23,26-octone IUPAC Name: 7,20-bis(acridin-9-ylamino)-4,17-dimethyl-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontane-3,6,10,13,16,19,23,26-octone Traditional Name: 7,20-bis(acridin-9-ylamino)-11,24-diisopropyl-4,17-dimethyl-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontane-3,6,10,13,16,19,23,26-tetraquinone Formula: C54H60N10O10S2 MolecularWeight: 1073.2452

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC3=C4C=CC=CC4=NC5=CC=CC=C53)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC6=C7C=CC=CC7=NC8=CC=CC=C86)C

Isomeric SMILES

CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC3=C4C=CC=CC4=NC5=CC=CC=C53)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC6=C7C=CC=CC7=NC8=CC=CC=C86)C

InChI

InChI=1S/C54H60N10O10S2/c1-27(2)43-53(71)73-23-39(59-45-31-15-7-11-19-35(31)57-36-20-12-8-16-32(36)45)49(67)55-30(6)48(66)62-42-26-76-75-25-41(51(69)63-43)61-47(65)29(5)56-50(68)40(24-74-54(72)44(28(3)4)64-52(42)70)60-46-33-17-9-13-21-37(33)58-38-22-14-10-18-34(38)46/h7-22,27-30,39-44H,23-26H2,1-6H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,61,65)(H,62,66)(H,63,69)(H,64,70)