9-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-6-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-12-[[4-[5-[[7,8-bis(oxidanyl)-2-[3-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-3-(hydroxymethyl)-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Systemtic Name: 9-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-6-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-12-[[4-[5-[[7,8-bis(oxidanyl)-2-[3-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-3-(hydroxymethyl)-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: 9-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxy-methyl]-6-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxy-methyl]-12-[[4-[5-[[7,8-dihydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl]-3-(hydroxymethyl)-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: 9-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-6-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-12-[[4-[[5-[[7,8-dihydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]methyl]-3-(hydroxymethyl)-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: 9-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-6-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-12-[[4-[5-[[7,8-dihydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-3-(hydroxymethyl)-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: 9-[(2-amino-2-imidazolin-4-yl)-hydroxy-methyl]-6-[[2-amino-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)-2-imidazolin-4-yl]-hydroxy-methyl]-12-[4-[5-[[7,8-dihydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzyl]-3-methylol-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C63H82F4N12O26 MolecularWeight: 1499.383593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)C(C2CN=C(N2C3C(C(C(C(O3)CO)O)O)O)N)O)C(C4CN=C(N4)N)O)CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)OC7C(C(C8C(O7)COC(O8)C9=CC(=CC=C9)OC(C(F)F)(F)F)O)O)O)O)C1=CC=CC=C1

Isomeric SMILES

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)C(C2CN=C(N2C3C(C(C(C(O3)CO)O)O)O)N)O)C(C4CN=C(N4)N)O)CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)OC7C(C(C8C(O7)COC(O8)C9=CC(=CC=C9)OC(C(F)F)(F)F)O)O)O)O)C1=CC=CC=C1

InChI

InChI=1S/C63H82F4N12O26/c1-23(25-6-3-2-4-7-25)37-53(95)73-29(14-24-10-12-27(13-11-24)99-58-47(91)44(88)49(34(21-82)101-58)104-59-48(92)45(89)50-35(102-59)22-98-57(103-50)26-8-5-9-28(15-26)105-63(66,67)60(64)65)52(94)77-38(40(84)30-16-71-61(68)75-30)55(97)78-39(54(96)74-31(19-80)51(93)70-18-36(83)76-37)41(85)32-17-72-62(69)79(32)56-46(90)43(87)42(86)33(20-81)100-56/h2-13,15,23,29-35,37-50,56-60,80-82,84-92H,14,16-22H2,1H3,(H2,69,72)(H,70,93)(H,73,95)(H,74,96)(H,76,83)(H,77,94)(H,78,97)(H3,68,71,75)