3-(fluoranylmethyl)-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]-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide

Systemtic Name: 3-(fluoranylmethyl)-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]-6H-[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-(fluoromethyl)-10,12-dimethyl-2-oxo-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide CAS Name: 3-(fluoromethyl)-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]-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide IUPAC Name: 3-(fluoromethyl)-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]-6H-[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)-3-(fluoromethyl)-2-keto-10,12-dimethyl-6H-[1,4]oxazino[3,2-b]phenoxazine-5,7-dicarboxamide Formula: C65H87FN12O17 MolecularWeight: 1327.454883

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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(N4)C(=C6C(=C5C)OC(=O)C(=N6)CF)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

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(N4)C(=C6C(=C5C)OC(=O)C(=N6)CF)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

InChI

InChI=1S/C65H87FN12O17/c1-28(2)43-61(87)77-23-17-19-38(77)59(85)73(13)26-40(79)75(15)50(30(5)6)64(90)92-34(11)45(57(83)69-43)71-55(81)36-22-21-32(9)52-47(36)68-49-42(48-54(33(10)53(49)94-52)95-63(89)37(25-66)67-48)56(82)72-46-35(12)93-65(91)51(31(7)8)76(16)41(80)27-74(14)60(86)39-20-18-24-78(39)62(88)44(29(3)4)70-58(46)84/h21-22,28-31,34-35,38-39,43-46,50-51,68H,17-20,23-27H2,1-16H3,(H,69,83)(H,70,84)(H,71,81)(H,72,82)