(1S,2R,3R,4S,6R)-4,6-bis(azanyl)-3-[3-[1-[9-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]nonyl]-1,2,3-triazol-4-yl]propoxy]cyclohexane-1,2-diol

Systemtic Name: (1S,2R,3R,4S,6R)-4,6-bis(azanyl)-3-[3-[1-[9-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]nonyl]-1,2,3-triazol-4-yl]propoxy]cyclohexane-1,2-diol Openeye Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[3-[1-[9-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]nonyl]triazol-4-yl]propoxy]cyclohexane-1,2-diol CAS Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[3-[1-[9-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]-1-triazolyl]nonyl]-4-triazolyl]propoxy]cyclohexane-1,2-diol IUPAC Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[3-[1-[9-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]nonyl]triazol-4-yl]propoxy]cyclohexane-1,2-diol Traditional Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[3-[1-[9-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]nonyl]triazol-4-yl]propoxy]cyclohexane-1,2-diol Formula: C31H58N10O6 MolecularWeight: 666.85562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OCCCC2=CN(N=N2)CCCCCCCCCN3C=C(N=N3)CCCOC4C(CC(C(C4O)O)N)N)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCC2=CN(N=N2)CCCCCCCCCN3C=C(N=N3)CCCO[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O)O)N)N)O)O)N

InChI

InChI=1S/C31H58N10O6/c32-22-16-24(34)30(28(44)26(22)42)46-14-8-10-20-18-40(38-36-20)12-6-4-2-1-3-5-7-13-41-19-21(37-39-41)11-9-15-47-31-25(35)17-23(33)27(43)29(31)45/h18-19,22-31,42-45H,1-17,32-35H2/t22-,23-,24+,25+,26+,27+,28-,29-,30-,31-/m1/s1