[5-[2,4-bis[bis(azanyl)methylideneamino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-3-oxidanyl-oxolan-3-yl]-oxidanyl-methanesulfonic acid

Systemtic Name: [5-[2,4-bis[bis(azanyl)methylideneamino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-3-oxidanyl-oxolan-3-yl]-oxidanyl-methanesulfonic acid Openeye Name: [5-(2,4-diguanidino-3,5,6-trihydroxy-cyclohexoxy)-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-3-hydroxy-2-methyl-tetrahydrofuran-3-yl]-hydroxy-methanesulfonic acid CAS Name: [5-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-[[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-3-hydroxy-2-methyl-3-oxolanyl]-hydroxymethanesulfonic acid IUPAC Name: [5-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-3-hydroxy-2-methyloxolan-3-yl]-hydroxymethanesulfonic acid Traditional Name: [5-(2,4-diguanidino-3,5,6-trihydroxy-cyclohexoxy)-4-[4,5-dihydroxy-3-(methylamino)-6-methylol-tetrahydropyran-2-yl]oxy-3-hydroxy-2-methyl-tetrahydrofuran-3-yl]-hydroxy-methanesulfonic acid Formula: C21H41N7O15S MolecularWeight: 663.65314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C(O)S(=O)(=O)O)O

Isomeric SMILES

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C(O)S(=O)(=O)O)O

InChI

InChI=1S/C21H41N7O15S/c1-4-21(36,18(35)44(37,38)39)15(43-16-8(26-2)12(33)9(30)5(3-29)41-16)17(40-4)42-14-7(28-20(24)25)10(31)6(27-19(22)23)11(32)13(14)34/h4-18,26,29-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H,37,38,39)