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

Systemtic Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]-N-[4-[5-[4-[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]ethanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamide Openeye Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide CAS Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]-1-triazolyl]-N-[4-[5-[4-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]-1-triazolyl]-1-oxoethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide IUPAC Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide Traditional Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide Formula: C40H54N14O9 MolecularWeight: 874.94516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OCCCC2=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)CCCOC7C(CC(C(C7O)O)N)N)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCC2=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)CCCO[C@@H]7[C@H](C[C@H]([C@@H]([C@H]7O)O)N)N)O)O)N

InChI

InChI=1S/C40H54N14O9/c41-27-15-29(43)37(35(59)33(27)57)61-13-1-3-25-17-53(51-47-25)19-31(55)45-23-9-5-21(6-10-23)39-49-50-40(63-39)22-7-11-24(12-8-22)46-32(56)20-54-18-26(48-52-54)4-2-14-62-38-30(44)16-28(42)34(58)36(38)60/h5-12,17-18,27-30,33-38,57-60H,1-4,13-16,19-20,41-44H2,(H,45,55)(H,46,56)/t27-,28-,29+,30+,33+,34+,35-,36-,37-,38-/m1/s1