N-[5-[[5-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-8-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexakis(oxidanylidene)-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-oxidanyl-phenyl]methanamide

Systemtic Name: N-[5-[[5-[(2-azanyl-4,5-dihydro-1H-imidazol-5-yl)-oxidanyl-methyl]-8-[[2-azanyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-oxidanyl-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexakis(oxidanylidene)-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-oxidanyl-phenyl]methanamide Openeye Name: N-[5-[[5-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxy-methyl]-8-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxy-methyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxy-phenyl]formamide CAS Name: N-[5-[[5-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-8-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxyphenyl]formamide IUPAC Name: N-[5-[[5-[(2-amino-4,5-dihydro-1H-imidazol-5-yl)-hydroxymethyl]-8-[[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxyphenyl]formamide Traditional Name: N-[5-[[5-[(2-amino-2-imidazolin-4-yl)-hydroxy-methyl]-8-[[2-amino-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)-2-imidazolin-4-yl]-hydroxy-methyl]-3,6,9,12,15,18-hexaketo-11-methylol-17-(1-phenylethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]-2-hydroxy-phenyl]formamide Formula: C43H59N13O16 MolecularWeight: 1014.00606

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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)O)NC=O)C6=CC=CC=C6

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)O)NC=O)C6=CC=CC=C6

InChI

InChI=1S/C43H59N13O16/c1-17(19-5-3-2-4-6-19)28-38(69)50-21(10-18-7-8-25(60)20(9-18)49-16-59)37(68)54-29(31(62)22-11-47-42(44)52-22)40(71)55-30(39(70)51-23(14-57)36(67)46-13-27(61)53-28)32(63)24-12-48-43(45)56(24)41-35(66)34(65)33(64)26(15-58)72-41/h2-9,16-17,21-24,26,28-35,41,57-58,60,62-66H,10-15H2,1H3,(H2,45,48)(H,46,67)(H,49,59)(H,50,69)(H,51,70)(H,53,61)(H,54,68)(H,55,71)(H3,44,47,52)