N-[5-[[5-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-8-(hydroxymethyl)-17-[[4-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-14-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-oxidanyl-methyl]-4,5-dihydro-1H-imidazol-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[5-[[5-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-8-(hydroxymethyl)-17-[[4-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyphenyl]methyl]-3,6,9,12,15,18-hexakis(oxidanylidene)-14-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-oxidanyl-methyl]-4,5-dihydro-1H-imidazol-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[5-[[5-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxy-methyl]-17-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyphenyl]methyl]-8-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-14-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-hydroxy-methyl]-4,5-dihydro-1H-imidazol-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[5-[[5-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-17-[[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]phenyl]methyl]-8-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-14-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-hydroxymethyl]-4,5-dihydro-1H-imidazol-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[5-[[5-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-17-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]methyl]-8-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-14-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-hydroxymethyl]-4,5-dihydro-1H-imidazol-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[4-[[5-[[2-amino-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)-2-imidazolin-4-yl]-hydroxy-methyl]-17-[4-[3,4-dihydroxy-6-methylol-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxybenzyl]-3,6,9,12,15,18-hexaketo-8-methylol-14-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-hydroxy-methyl]-2-imidazolin-2-yl]-2,2-dimethyl-propionamide Formula: C59H86N12O26 MolecularWeight: 1379.37894

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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)NC(=O)C(C)(C)C)O)CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C8=CC=CC=C8

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)NC(=O)C(C)(C)C)O)CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C8=CC=CC=C8

InChI

InChI=1S/C59H86N12O26/c1-22(24-8-6-5-7-9-24)34-50(89)64-26(14-23-10-12-25(13-11-23)93-54-46(86)43(83)47(32(21-75)96-54)97-55-45(85)42(82)40(80)31(20-74)95-55)49(88)68-35(37(77)27-15-63-58(66-27)70-56(92)59(2,3)4)52(91)69-36(51(90)65-28(18-72)48(87)61-17-33(76)67-34)38(78)29-16-62-57(60)71(29)53-44(84)41(81)39(79)30(19-73)94-53/h5-13,22,26-32,34-47,53-55,72-75,77-86H,14-21H2,1-4H3,(H2,60,62)(H,61,87)(H,64,89)(H,65,90)(H,67,76)(H,68,88)(H,69,91)(H2,63,66,70,92)