(1S,2R,3R,4S,6R)-4,6-bis(azanyl)-3-[4-[1-[3-[3-[4-[4-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxybutyl]-1,2,3-triazol-1-yl]phenyl]sulfonylphenyl]-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-[3-[4-[4-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxybutyl]-1,2,3-triazol-1-yl]phenyl]sulfonylphenyl]-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-[3-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]phenyl]sulfonylphenyl]triazol-4-yl]butoxy]cyclohexane-1,2-diol CAS Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[4-[1-[3-[3-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]-1-triazolyl]phenyl]sulfonylphenyl]-4-triazolyl]butoxy]cyclohexane-1,2-diol IUPAC Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[4-[1-[3-[3-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]triazol-1-yl]phenyl]sulfonylphenyl]triazol-4-yl]butoxy]cyclohexane-1,2-diol Traditional Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[4-[1-[3-[3-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]phenyl]sulfonylphenyl]triazol-4-yl]butoxy]cyclohexane-1,2-diol Formula: C36H52N10O8S MolecularWeight: 784.92528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OCCCCC2=CN(N=N2)C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC(=C4)N5C=C(N=N5)CCCCOC6C(CC(C(C6O)O)N)N)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCCC2=CN(N=N2)C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC(=C4)N5C=C(N=N5)CCCCO[C@@H]6[C@H](C[C@H]([C@@H]([C@H]6O)O)N)N)O)O)N

InChI

InChI=1S/C36H52N10O8S/c37-27-17-29(39)35(33(49)31(27)47)53-13-3-1-7-21-19-45(43-41-21)23-9-5-11-25(15-23)55(51,52)26-12-6-10-24(16-26)46-20-22(42-44-46)8-2-4-14-54-36-30(40)18-28(38)32(48)34(36)50/h5-6,9-12,15-16,19-20,27-36,47-50H,1-4,7-8,13-14,17-18,37-40H2/t27-,28-,29+,30+,31+,32+,33-,34-,35-,36-/m1/s1