(1S,2R,3R,4S,6R)-4,6-bis(azanyl)-3-[4-[1-[[3-[[4-[4-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxybutyl]-1,2,3-triazol-1-yl]methyl]-2,4,6-trimethyl-phenyl]methyl]-1,2,3-triazol-4-yl]butoxy]cyclohexane-1,2-diol

Systemtic Name: (1S,2R,3R,4S,6R)-4,6-bis(azanyl)-3-[4-[1-[[3-[[4-[4-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxybutyl]-1,2,3-triazol-1-yl]methyl]-2,4,6-trimethyl-phenyl]methyl]-1,2,3-triazol-4-yl]butoxy]cyclohexane-1,2-diol Openeye Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[4-[1-[[3-[[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]methyl]-2,4,6-trimethyl-phenyl]methyl]triazol-4-yl]butoxy]cyclohexane-1,2-diol CAS Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[4-[1-[[3-[[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]-1-triazolyl]methyl]-2,4,6-trimethylphenyl]methyl]-4-triazolyl]butoxy]cyclohexane-1,2-diol IUPAC Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[4-[1-[[3-[[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]butoxy]cyclohexane-1,2-diol Traditional Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[4-[1-[3-[[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]methyl]-2,4,6-trimethyl-benzyl]triazol-4-yl]butoxy]cyclohexane-1,2-diol Formula: C35H58N10O6 MolecularWeight: 714.89842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CN2C=C(N=N2)CCCCOC3C(CC(C(C3O)O)N)N)C)CN4C=C(N=N4)CCCCOC5C(CC(C(C5O)O)N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1CN2C=C(N=N2)CCCCO[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)C)CN4C=C(N=N4)CCCCO[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)C

InChI

InChI=1S/C35H58N10O6/c1-19-12-20(2)25(18-45-16-23(41-43-45)9-5-7-11-51-35-29(39)14-27(37)31(47)33(35)49)21(3)24(19)17-44-15-22(40-42-44)8-4-6-10-50-34-28(38)13-26(36)30(46)32(34)48/h12,15-16,26-35,46-49H,4-11,13-14,17-18,36-39H2,1-3H3/t26-,27-,28+,29+,30+,31+,32-,33-,34-,35-/m1/s1