2-[4-[[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxymethyl]-1,2,3-triazol-1-yl]-N-[4-[5-[4-[2-[4-[[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxymethyl]-1,2,3-triazol-1-yl]ethanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamide

Systemtic Name: 2-[4-[[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxymethyl]-1,2,3-triazol-1-yl]-N-[4-[5-[4-[2-[4-[[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxymethyl]-1,2,3-triazol-1-yl]ethanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamide Openeye Name: 2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]methyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]methyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide CAS Name: 2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxymethyl]-1-triazolyl]-N-[4-[5-[4-[[2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxymethyl]-1-triazolyl]-1-oxoethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide IUPAC Name: 2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxymethyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxymethyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide Traditional Name: 2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]methyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]methyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide Formula: C36H46N14O9 MolecularWeight: 818.83884

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OCC2=CN(N=N2)CC(=O)NC3=CC=C(C=C3)C4=NN=C(O4)C5=CC=C(C=C5)NC(=O)CN6C=C(N=N6)COC7C(CC(C(C7O)O)N)N)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCC2=CN(N=N2)CC(=O)NC3=CC=C(C=C3)C4=NN=C(O4)C5=CC=C(C=C5)NC(=O)CN6C=C(N=N6)CO[C@@H]7[C@H](C[C@H]([C@@H]([C@H]7O)O)N)N)O)O)N

InChI

InChI=1S/C36H46N14O9/c37-23-9-25(39)33(31(55)29(23)53)57-15-21-11-49(47-43-21)13-27(51)41-19-5-1-17(2-6-19)35-45-46-36(59-35)18-3-7-20(8-4-18)42-28(52)14-50-12-22(44-48-50)16-58-34-26(40)10-24(38)30(54)32(34)56/h1-8,11-12,23-26,29-34,53-56H,9-10,13-16,37-40H2,(H,41,51)(H,42,52)/t23-,24-,25+,26+,29+,30+,31-,32-,33-,34-/m1/s1