2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

Systemtic Name: 2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide Openeye Name: 2-amino-N1,N9-bis(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide CAS Name: 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide Traditional Name: 2-amino-N,N'-bis(3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-6-yl)-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide Formula: C62H88N14O14 MolecularWeight: 1253.44752

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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)N1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(NC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C

Isomeric SMILES

CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)N1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(NC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C

InChI

InChI=1S/C62H88N14O14/c1-27(2)42-61(88)75-23-17-19-36(75)59(86)71(13)25-38(77)73(15)48(29(5)6)57(84)64-33(11)44(55(82)67-42)69-53(80)35-22-21-31(9)51-46(35)66-47-40(41(63)50(79)32(10)52(47)90-51)54(81)70-45-34(12)65-58(85)49(30(7)8)74(16)39(78)26-72(14)60(87)37-20-18-24-76(37)62(89)43(28(3)4)68-56(45)83/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,64,84)(H,65,85)(H,67,82)(H,68,83)(H,69,80)(H,70,81)