2-azanyl-N1,N9-bis[12-butan-2-yl-4,7,10,16-tetramethyl-2,5,8,11,14-pentakis(oxidanylidene)-3-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxamide

Systemtic Name: 2-azanyl-N1,N9-bis[12-butan-2-yl-4,7,10,16-tetramethyl-2,5,8,11,14-pentakis(oxidanylidene)-3-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxamide Openeye Name: 2-amino-N1,N9-bis(3-isopropyl-4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-12-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide CAS Name: 2-amino-N1,N9-bis(12-butan-2-yl-4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide IUPAC Name: 2-amino-1-N,9-N-bis(12-butan-2-yl-4,7,10,16-tetramethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide Traditional Name: 2-amino-N,N'-bis(3-isopropyl-2,5,8,11,14-pentaketo-4,7,10,16-tetramethyl-12-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl)-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide Formula: C60H86N12O16 MolecularWeight: 1231.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(CC(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C2=C3C(=C(C=C2)C)OC4=C(C(=O)C(=C(C4=N3)C(=O)NC5C(OC(=O)C(N(C(=O)CN(C(=O)CN(C(=O)C(NC5=O)C(C)CC)C)C)C)C(C)C)C)N)C)C)C(C)C)C)C)C

Isomeric SMILES

CCC(C)C1C(=O)N(CC(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C2=C3C(=C(C=C2)C)OC4=C(C(=O)C(=C(C4=N3)C(=O)NC5C(OC(=O)C(N(C(=O)CN(C(=O)CN(C(=O)C(NC5=O)C(C)CC)C)C)C)C(C)C)C)N)C)C)C(C)C)C)C)C

InChI

InChI=1S/C60H86N12O16/c1-19-29(7)42-57(82)69(15)23-36(73)67(13)25-38(75)71(17)48(27(3)4)59(84)86-33(11)44(55(80)63-42)65-53(78)35-22-21-31(9)51-46(35)62-47-40(41(61)50(77)32(10)52(47)88-51)54(79)66-45-34(12)87-60(85)49(28(5)6)72(18)39(76)26-68(14)37(74)24-70(16)58(83)43(30(8)20-2)64-56(45)81/h21-22,27-30,33-34,42-45,48-49H,19-20,23-26,61H2,1-18H3,(H,63,80)(H,64,81)(H,65,78)(H,66,79)