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

Systemtic Name: 2-[2-[4-(aminomethyl)-3-[6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-5-[bis(azanyl)methylideneamino]-3,4,6-tris(oxidanyl)cyclohexyl]guanidine Openeye Name: 2-[2-[4-(aminomethyl)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine CAS Name: 2-[2-[[4-(aminomethyl)-3-[[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-hydroxy-5-methyl-2-oxolanyl]oxy]-5-(diaminomethylideneamino)-3,4,6-trihydroxycyclohexyl]guanidine IUPAC Name: 2-[2-[4-(aminomethyl)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-5-methyloxolan-2-yl]oxy-5-(diaminomethylideneamino)-3,4,6-trihydroxycyclohexyl]guanidine Traditional Name: 2-[2-[4-(aminomethyl)-3-[4,5-dihydroxy-3-(methylamino)-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine Formula: C21H42N8O11 MolecularWeight: 582.60518

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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)(CN)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)(CN)O

InChI

InChI=1S/C21H42N8O11/c1-5-21(36,4-22)16(40-17-9(27-2)13(34)10(31)6(3-30)38-17)18(37-5)39-15-8(29-20(25)26)11(32)7(28-19(23)24)12(33)14(15)35/h5-18,27,30-36H,3-4,22H2,1-2H3,(H4,23,24,28)(H4,25,26,29)