N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4R,5S)-2-(hydroxymethyl)-3-[(4-phenylphenyl)carbonylamino]-5-[2-[4-(trifluoromethyl)phenyl]ethanoylamino]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4R,5S)-2-(hydroxymethyl)-3-[(4-phenylphenyl)carbonylamino]-5-[2-[4-(trifluoromethyl)phenyl]ethanoylamino]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S)-2-(hydroxymethyl)-3-[(4-phenylbenzoyl)amino]-5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]-3-(trifluoromethyl)benzamide CAS Name: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2S,3R,4R,5S)-2-(hydroxymethyl)-3-[[oxo-(4-phenylphenyl)methyl]amino]-5-[[1-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-oxanyl]oxy]-3-oxanyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S)-2-(hydroxymethyl)-3-[(4-phenylbenzoyl)amino]-5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]oxan-4-yl]oxyoxan-3-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-2-[(2S,3R,4R,5S)-2-methylol-3-[(4-phenylbenzoyl)amino]-5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]-3-(trifluoromethyl)benzamide Formula: C42H41F6N3O10 MolecularWeight: 861.779459

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)CO)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)O)NC(=O)C5=CC(=CC=C5)C(F)(F)F)NC(=O)CC6=CC=C(C=C6)C(F)(F)F

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C5=CC(=CC=C5)C(F)(F)F)NC(=O)CC6=CC=C(C=C6)C(F)(F)F

InChI

InChI=1S/C42H41F6N3O10/c43-41(44,45)27-15-9-22(10-16-27)17-32(54)49-29-21-59-30(19-52)33(50-38(57)25-13-11-24(12-14-25)23-5-2-1-3-6-23)37(29)61-40-34(36(56)35(55)31(20-53)60-40)51-39(58)26-7-4-8-28(18-26)42(46,47)48/h1-16,18,29-31,33-37,40,52-53,55-56H,17,19-21H2,(H,49,54)(H,50,57)(H,51,58)/t29-,30+,31+,33-,34+,35+,36+,37+,40-/m0/s1