3,10,12-trimethyl-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]-12aH-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide

Systemtic Name: 3,10,12-trimethyl-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]-12aH-[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)-3,10,12-trimethyl-2-oxo-12aH-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide CAS Name: 3,10,12-trimethyl-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]-12aH-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide IUPAC Name: 3,10,12-trimethyl-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]-12aH-[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-3,10,12-trimethyl-12aH-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide Formula: C65H88N12O17 MolecularWeight: 1309.46442

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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=C4C(=C(C=C3)C)OC5=C(C6C(=C(C5=N4)C(=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=C(C(=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=C4C(=C(C=C3)C)OC5=C(C6C(=C(C5=N4)C(=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=C(C(=O)O6)C)C

InChI

InChI=1S/C65H88N12O17/c1-28(2)43-61(86)76-24-18-20-38(76)59(84)72(14)26-40(78)74(16)50(30(5)6)64(89)91-35(12)45(57(82)68-43)70-55(80)37-23-22-32(9)52-47(37)67-49-42(48-54(33(10)53(49)93-52)94-63(88)34(11)66-48)56(81)71-46-36(13)92-65(90)51(31(7)8)75(17)41(79)27-73(15)60(85)39-21-19-25-77(39)62(87)44(29(3)4)69-58(46)83/h22-23,28-31,35-36,38-39,43-46,50-51,54H,18-21,24-27H2,1-17H3,(H,68,82)(H,69,83)(H,70,80)(H,71,81)