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[2-[6-[4-[[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-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] 2-methylpropanoate

Systemtic Name:	[2-[6-[4-[[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-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] 2-methylpropanoate
Openeye Name:	[2-[6-[4-[[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]-17-benzyl-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 2-methylpropanoate
CAS Name:	2-methylpropanoic acid [2-[[6-[4-[[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-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl] ester
IUPAC Name:	[2-[6-[4-[[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]-17-benzyl-11-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 2-methylpropanoate
Traditional Name:	2-methylpropionic acid [2-[6-[4-[[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]-17-benzyl-3,6,9,12,15,18-hexaketo-11-methylol-1,4,7,10,13,16-hexazacyclooctadec-2-yl]methyl]phenoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl] ester
Formula:	C₅₇H₈₂N₁₂O₂₆
MolecularWeight:	1351.32578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1C(C(OC(C1O)OC2C(OC(C(C2O)O)OC3=CC=C(C=C3)CC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N4)CC5=CC=CC=C5)CO)C(C6CN=C(N6C7C(C(C(C(O7)CO)O)O)O)N)O)C(C8CN=C(N8)N)O)CO)CO)O

Isomeric SMILES

CC(C)C(=O)OC1C(C(OC(C1O)OC2C(OC(C(C2O)O)OC3=CC=C(C=C3)CC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N4)CC5=CC=CC=C5)CO)C(C6CN=C(N6C7C(C(C(C(O7)CO)O)O)O)N)O)C(C8CN=C(N8)N)O)CO)CO)O

InChI

InChI=1S/C57H82N12O26/c1-21(2)53(89)94-46-39(78)31(19-72)92-55(44(46)83)95-45-32(20-73)93-54(43(82)41(45)80)90-24-10-8-23(9-11-24)13-26-49(86)67-34(36(75)27-14-61-56(58)66-27)51(88)68-35(37(76)29-15-62-57(59)69(29)52-42(81)40(79)38(77)30(18-71)91-52)50(87)65-28(17-70)47(84)60-16-33(74)63-25(48(85)64-26)12-22-6-4-3-5-7-22/h3-11,21,25-32,34-46,52,54-55,70-73,75-83H,12-20H2,1-2H3,(H2,59,62)(H,60,84)(H,63,74)(H,64,85)(H,65,87)(H,67,86)(H,68,88)(H3,58,61,66)

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