N-[(2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-3-[[azanyl-[(4-methylphenyl)amino]methylidene]amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]oxan-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[(2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-3-[[azanyl-[(4-methylphenyl)amino]methylidene]amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]oxan-3-yl]-4-phenyl-benzamide Openeye Name: N-[(2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-3-[[amino-(4-methylanilino)methylene]amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]tetrahydropyran-3-yl]-4-phenyl-benzamide CAS Name: N-[(2S,3R,4R,5S)-4-[[(2R,3R,4R,5S,6R)-3-[[amino-(4-methylanilino)methylidene]amino]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-(hydroxymethyl)-5-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]-3-oxanyl]-4-phenylbenzamide IUPAC Name: N-[(2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-3-[[amino-(4-methylanilino)methylidene]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]oxan-3-yl]-4-phenylbenzamide Traditional Name: N-[(2S,3R,4R,5S)-4-[(2R,3R,4R,5S,6R)-3-[[amino(p-toluidino)methylene]amino]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-methylol-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]tetrahydropyran-3-yl]-4-phenyl-benzamide Formula: C41H45F3N6O9 MolecularWeight: 822.82601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=NC2C(C(C(OC2OC3C(COC(C3NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)CO)NC(=O)NC6=CC=CC(=C6)C(F)(F)F)CO)O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H](CO[C@@H]([C@@H]3NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)CO)NC(=O)NC6=CC=CC(=C6)C(F)(F)F)CO)O)O)N

InChI

InChI=1S/C41H45F3N6O9/c1-22-10-16-27(17-11-22)46-39(45)50-33-35(54)34(53)31(20-52)58-38(33)59-36-29(48-40(56)47-28-9-5-8-26(18-28)41(42,43)44)21-57-30(19-51)32(36)49-37(55)25-14-12-24(13-15-25)23-6-3-2-4-7-23/h2-18,29-36,38,51-54H,19-21H2,1H3,(H,49,55)(H3,45,46,50)(H2,47,48,56)/t29-,30+,31+,32-,33+,34+,35+,36+,38-/m0/s1