6-[[2-azanylidene-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-pyrimidin-2-yl-imidazolidin-4-yl]-oxidanyl-methyl]-3-(hydroxymethyl)-12-[[4-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-9-[oxidanyl-[2-(pyrimidin-2-ylamino)-4,5-dihydro-1H-imidazol-5-yl]methyl]-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Systemtic Name: 6-[[2-azanylidene-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-pyrimidin-2-yl-imidazolidin-4-yl]-oxidanyl-methyl]-3-(hydroxymethyl)-12-[[4-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-9-[oxidanyl-[2-(pyrimidin-2-ylamino)-4,5-dihydro-1H-imidazol-5-yl]methyl]-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: 12-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]methyl]-6-[hydroxy-[2-imino-1-pyrimidin-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]imidazolidin-4-yl]methyl]-3-(hydroxymethyl)-9-[hydroxy-[2-(pyrimidin-2-ylamino)-4,5-dihydro-1H-imidazol-5-yl]methyl]-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: 12-[[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]phenyl]methyl]-6-[hydroxy-[2-imino-1-(2-pyrimidinyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4-imidazolidinyl]methyl]-3-(hydroxymethyl)-9-[hydroxy-[2-(2-pyrimidinylamino)-4,5-dihydro-1H-imidazol-5-yl]methyl]-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: 12-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]methyl]-6-[hydroxy-[2-imino-1-pyrimidin-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidin-4-yl]methyl]-3-(hydroxymethyl)-9-[hydroxy-[2-(pyrimidin-2-ylamino)-4,5-dihydro-1H-imidazol-5-yl]methyl]-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: 12-[4-[3,4-dihydroxy-6-methylol-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxybenzyl]-6-[hydroxy-[2-imino-1-(2-pyrimidyl)-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)imidazolidin-4-yl]methyl]-9-[hydroxy-[2-(2-pyrimidylamino)-2-imidazolin-4-yl]methyl]-3-methylol-15-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C62H82N16O25 MolecularWeight: 1451.40668

Click to see the large picture

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(=N)N2C3C(C(C(C(O3)CO)O)O)O)C4=NC=CC=N4)O)C(C5CN=C(N5)NC6=NC=CC=N6)O)CC7=CC=C(C=C7)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)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(=N)N2C3C(C(C(C(O3)CO)O)O)O)C4=NC=CC=N4)O)C(C5CN=C(N5)NC6=NC=CC=N6)O)CC7=CC=C(C=C7)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)O)O)O)C1=CC=CC=C1

InChI

InChI=1S/C62H82N16O25/c1-25(27-7-3-2-4-8-27)37-53(96)70-29(17-26-9-11-28(12-10-26)99-57-49(93)46(90)50(35(24-82)102-57)103-58-48(92)45(89)43(87)34(23-81)101-58)52(95)74-38(40(84)30-18-69-61(72-30)76-60-64-13-5-14-65-60)55(98)75-39(54(97)71-31(21-79)51(94)68-19-36(83)73-37)41(85)32-20-77(62-66-15-6-16-67-62)59(63)78(32)56-47(91)44(88)42(86)33(22-80)100-56/h2-16,25,29-35,37-50,56-58,63,79-82,84-93H,17-24H2,1H3,(H,68,94)(H,70,96)(H,71,97)(H,73,83)(H,74,95)(H,75,98)(H2,64,65,69,72,76)