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

Systemtic Name: [5-[bis(azanyl)methylideneamino]-2-[4-(hydroxymethyl)-3-[6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-3,4,6-tris(oxidanyl)cyclohexyl] carbamate sulfate Openeye Name: [2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl] carbamate sulfate CAS Name: carbamic acid [5-(diaminomethylideneamino)-2-[[3-[[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxolanyl]oxy]-3,4,6-trihydroxycyclohexyl] ester sulfate IUPAC Name: [5-(diaminomethylideneamino)-2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl] carbamate sulfate Traditional Name: carbamic acid [2-[3-[4,5-dihydroxy-3-(methylamino)-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methyl-4-methylol-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl] ester sulfate Formula: C21H39N5O18S-2 MolecularWeight: 681.62206

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)OC2C(C(C(C(C2OC(=O)N)O)N=C(N)N)O)O)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1C(C(C(O1)OC2C(C(C(C(C2OC(=O)N)O)N=C(N)N)O)O)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H39N5O14.H2O4S/c1-5-21(35,4-28)16(40-17-8(25-2)11(31)9(29)6(3-27)37-17)18(36-5)38-15-13(33)10(30)7(26-19(22)23)12(32)14(15)39-20(24)34;1-5(2,3)4/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26);(H2,1,2,3,4)/p-2