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

Systemtic Name: 2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxybutyl]-1,2,3-triazol-1-yl]-N-[4-[4-[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxybutyl]-1,2,3-triazol-1-yl]ethanoylamino]phenoxy]phenyl]ethanamide Openeye Name: 2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]-N-[4-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]acetyl]amino]phenoxy]phenyl]acetamide CAS Name: 2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]-1-triazolyl]-N-[4-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]-1-triazolyl]-1-oxoethyl]amino]phenoxy]phenyl]acetamide IUPAC Name: 2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]triazol-1-yl]-N-[4-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]triazol-1-yl]acetyl]amino]phenoxy]phenyl]acetamide Traditional Name: 2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]-N-[4-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]acetyl]amino]phenoxy]phenyl]acetamide Formula: C40H58N12O9 MolecularWeight: 850.96352

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OCCCCC2=CN(N=N2)CC(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)NC(=O)CN5C=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)CC(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)NC(=O)CN5C=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/C40H58N12O9/c41-29-17-31(43)39(37(57)35(29)55)59-15-3-1-5-25-19-51(49-47-25)21-33(53)45-23-7-11-27(12-8-23)61-28-13-9-24(10-14-28)46-34(54)22-52-20-26(48-50-52)6-2-4-16-60-40-32(44)18-30(42)36(56)38(40)58/h7-14,19-20,29-32,35-40,55-58H,1-6,15-18,21-22,41-44H2,(H,45,53)(H,46,54)/t29-,30-,31+,32+,35+,36+,37-,38-,39-,40-/m1/s1