5-[(E)-3-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-prop-1-enyl]-2-phenyl-pyrazole-3-carbonitrile

Systemtic Name: 5-[(E)-3-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-prop-1-enyl]-2-phenyl-pyrazole-3-carbonitrile Openeye Name: 5-[(E)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-methyl-prop-1-enyl]-2-phenyl-pyrazole-3-carbonitrile CAS Name: 5-[(E)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-2-methylprop-1-enyl]-2-phenyl-3-pyrazolecarbonitrile IUPAC Name: 5-[(E)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methylprop-1-enyl]-2-phenylpyrazole-3-carbonitrile Traditional Name: 5-[(E)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-methyl-prop-1-enyl]-2-phenyl-pyrazole-3-carbonitrile Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC3=NN(C(=C3)C#N)C4=CC=CC=C4)C)C(C)O

Isomeric SMILES

C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=NN(C(=C3)C#N)C4=CC=CC=C4)/C)[C@H](C)O

InChI

InChI=1S/C26H33N3O5/c1-15(9-19-12-21(13-27)29(28-19)20-7-5-4-6-8-20)10-22-25(32)24(31)18(14-33-22)11-23-26(34-23)16(2)17(3)30/h4-9,12,16-18,22-26,30-32H,10-11,14H2,1-3H3/b15-9+/t16-,17-,18-,22-,23-,24+,25-,26-/m0/s1