(2E,6E)-2,6-bis[[4-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]phenyl]methylidene]-4-methyl-cyclohexan-1-one

Systemtic Name: (2E,6E)-2,6-bis[[4-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]phenyl]methylidene]-4-methyl-cyclohexan-1-one Openeye Name: (2E,6E)-2,6-bis[[4-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]phenyl]methylene]-4-methyl-cyclohexanone CAS Name: (2E,6E)-2,6-bis[[4-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]-1-triazolyl]phenyl]methylidene]-4-methyl-1-cyclohexanone IUPAC Name: (2E,6E)-2,6-bis[[4-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]phenyl]methylidene]-4-methylcyclohexan-1-one Traditional Name: (2E,6E)-2,6-bis[4-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]benzylidene]-4-methyl-cyclohexanone Formula: C43H58N10O7 MolecularWeight: 826.98342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC=C(C=C2)N3C=C(N=N3)CCCOC4C(CC(C(C4O)O)N)N)C(=O)C(=CC5=CC=C(C=C5)N6C=C(N=N6)CCCOC7C(CC(C(C7O)O)N)N)C1

Isomeric SMILES

CC1C/C(=C\C2=CC=C(C=C2)N3N=NC(=C3)CCCO[C@H]4[C@@H]([C@H]([C@@H](C[C@@H]4N)N)O)O)/C(=O)/C(=C/C5=CC=C(C=C5)N6N=NC(=C6)CCCO[C@H]7[C@@H]([C@H]([C@@H](C[C@@H]7N)N)O)O)/C1

InChI

InChI=1S/C43H58N10O7/c1-24-16-27(18-25-6-10-31(11-7-25)52-22-29(48-50-52)4-2-14-59-42-35(46)20-33(44)38(55)40(42)57)37(54)28(17-24)19-26-8-12-32(13-9-26)53-23-30(49-51-53)5-3-15-60-43-36(47)21-34(45)39(56)41(43)58/h6-13,18-19,22-24,33-36,38-43,55-58H,2-5,14-17,20-21,44-47H2,1H3/b27-18+,28-19+/t33-,34-,35+,36+,38+,39+,40-,41-,42-,43-/m1/s1