[(E)-2-[[(E)-4-[(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]-3-methyl-but-2-enoyl]amino]-1-(6-chloranylpyridin-3-yl)ethenyl] 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: [(E)-2-[[(E)-4-[(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]-3-methyl-but-2-enoyl]amino]-1-(6-chloranylpyridin-3-yl)ethenyl] 2,2,2-tris(chloranyl)ethanoate Openeye Name: [(E)-1-(6-chloro-3-pyridyl)-2-[[(E)-4-[(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]-3-methyl-but-2-enoyl]amino]vinyl] 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid [(E)-1-(6-chloro-3-pyridinyl)-2-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-1-oxobut-2-enyl]amino]ethenyl] ester IUPAC Name: [(E)-1-(6-chloropyridin-3-yl)-2-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]amino]ethenyl] 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid [(E)-1-(6-chloro-3-pyridyl)-2-[[(E)-4-[(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]-3-methyl-but-2-enoyl]amino]vinyl] ester Formula: C26H32Cl4N2O8 MolecularWeight: 642.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)NC=C(C3=CN=C(C=C3)Cl)OC(=O)C(Cl)(Cl)Cl)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/C(=O)N/C=C(\C3=CN=C(C=C3)Cl)/OC(=O)C(Cl)(Cl)Cl)/C)[C@H](C)O

InChI

InChI=1S/C26H32Cl4N2O8/c1-12(6-17-23(36)22(35)16(11-38-17)8-18-24(39-18)13(2)14(3)33)7-21(34)32-10-19(40-25(37)26(28,29)30)15-4-5-20(27)31-9-15/h4-5,7,9-10,13-14,16-18,22-24,33,35-36H,6,8,11H2,1-3H3,(H,32,34)/b12-7+,19-10+/t13-,14-,16-,17-,18-,22+,23-,24-/m0/s1