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-[5-[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]phenyl]-1,3,4-oxadiazol-2-yl]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-[5-[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]phenyl]-1,3,4-oxadiazol-2-yl]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-[5-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide CAS Name: 2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]-1-triazolyl]-N-[4-[5-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]-1-triazolyl]-1-oxoethyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide IUPAC Name: 2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]triazol-1-yl]-N-[4-[5-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxybutyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]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-[5-[4-[[2-[4-[4-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]butyl]triazol-1-yl]acetyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide Formula: C42H58N14O9 MolecularWeight: 902.99832

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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)C4=NN=C(O4)C5=CC=C(C=C5)NC(=O)CN6C=C(N=N6)CCCCOC7C(CC(C(C7O)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)C4=NN=C(O4)C5=CC=C(C=C5)NC(=O)CN6C=C(N=N6)CCCCO[C@@H]7[C@H](C[C@H]([C@@H]([C@H]7O)O)N)N)O)O)N

InChI

InChI=1S/C42H58N14O9/c43-29-17-31(45)39(37(61)35(29)59)63-15-3-1-5-27-19-55(53-49-27)21-33(57)47-25-11-7-23(8-12-25)41-51-52-42(65-41)24-9-13-26(14-10-24)48-34(58)22-56-20-28(50-54-56)6-2-4-16-64-40-32(46)18-30(44)36(60)38(40)62/h7-14,19-20,29-32,35-40,59-62H,1-6,15-18,21-22,43-46H2,(H,47,57)(H,48,58)/t29-,30-,31+,32+,35+,36+,37-,38-,39-,40-/m1/s1