10,12-dimethyl-2-oxidanylidene-N5,N7-bis[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide

Systemtic Name: 10,12-dimethyl-2-oxidanylidene-N5,N7-bis[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide Openeye Name: N5,N7-bis(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-10,12-dimethyl-2-oxo-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide CAS Name: 10,12-dimethyl-2-oxo-N5,N7-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide IUPAC Name: 10,12-dimethyl-2-oxo-5-N,7-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide Traditional Name: N,N'-bis(3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-2-keto-10,12-dimethyl-9H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide Formula: C64H86N12O17 MolecularWeight: 1295.43784

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CCC(=C4C3=NC5=C(O4)C(=C6C(=C5C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C)N=CC(=O)O6)C)C

Isomeric SMILES

CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CCC(=C4C3=NC5=C(O4)C(=C6C(=C5C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C)N=CC(=O)O6)C)C

InChI

InChI=1S/C64H86N12O17/c1-28(2)43-61(86)75-23-17-19-37(75)59(84)71(13)26-39(77)73(15)50(30(5)6)63(88)90-34(11)45(57(82)67-43)69-55(80)36-22-21-32(9)52-47(36)66-49-42(48-53(33(10)54(49)93-52)92-41(79)25-65-48)56(81)70-46-35(12)91-64(89)51(31(7)8)74(16)40(78)27-72(14)60(85)38-20-18-24-76(38)62(87)44(29(3)4)68-58(46)83/h22,25,28-31,34-35,37-38,43-46,50-51H,17-21,23-24,26-27H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)