[(2R,3S,4R,5S)-2,3,4,5-tetraacetyloxy-5-[2-ethanoyl-6-(phenylazanylmethyl)-3H-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-3-yl]pentyl] ethanoate

Systemtic Name: [(2R,3S,4R,5S)-2,3,4,5-tetraacetyloxy-5-[2-ethanoyl-6-(phenylazanylmethyl)-3H-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-3-yl]pentyl] ethanoate Openeye Name: [(2R,3S,4R,5S)-2,3,4,5-tetraacetoxy-5-[2-acetyl-6-(anilinomethyl)-3H-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-3-yl]pentyl] acetate CAS Name: acetic acid [(2R,3S,4R,5S)-5-[2-acetyl-6-(anilinomethyl)-3H-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-3-yl]-2,3,4,5-tetraacetyloxypentyl] ester IUPAC Name: [(2R,3S,4R,5S)-5-[2-acetyl-6-(anilinomethyl)-3H-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-3-yl]-2,3,4,5-tetraacetyloxypentyl] acetate Traditional Name: acetic acid [(2R,3S,4R,5S)-2,3,4,5-tetraacetoxy-5-[2-acetyl-6-(anilinomethyl)-3H-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-3-yl]pentyl] ester Formula: C27H33N5O12 MolecularWeight: 619.57722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(N2C(=N1)OC(=N2)CNC3=CC=CC=C3)C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N1C(N2C(=N1)OC(=N2)CNC3=CC=CC=C3)[C@@H]([C@H]([C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H33N5O12/c1-14(33)31-26(32-27(30-31)44-22(29-32)12-28-20-10-8-7-9-11-20)25(43-19(6)38)24(42-18(5)37)23(41-17(4)36)21(40-16(3)35)13-39-15(2)34/h7-11,21,23-26,28H,12-13H2,1-6H3/t21-,23+,24+,25-,26?/m1/s1