1-[(3S,4R,5R,6S)-6-(hydroxymethyl)-4-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]oxan-2-yl]oxy-5-[(4-phenylphenyl)methylamino]oxan-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[(3S,4R,5R,6S)-6-(hydroxymethyl)-4-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]oxan-2-yl]oxy-5-[(4-phenylphenyl)methylamino]oxan-3-yl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S)-2-(hydroxymethyl)-3-[(4-phenylphenyl)methylamino]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2S,3R,4R,5S)-2-(hydroxymethyl)-5-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]-3-[(4-phenylphenyl)methylamino]-4-oxanyl]oxy]-3-oxanyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S)-2-(hydroxymethyl)-3-[(4-phenylphenyl)methylamino]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]oxan-4-yl]oxyoxan-3-yl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-2-[(2S,3R,4R,5S)-2-methylol-3-[(4-phenylbenzyl)amino]-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]tetrahydropyran-4-yl]oxy-tetrahydropyran-3-yl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C41H43F6N5O9 MolecularWeight: 863.798639

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)CO)NCC2=CC=C(C=C2)C3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)O)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)NC(=O)NC6=CC=CC(=C6)C(F)(F)F

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([C@H](O1)CO)NCC2=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)NC5=CC=CC(=C5)C(F)(F)F)NC(=O)NC6=CC=CC(=C6)C(F)(F)F

InChI

InChI=1S/C41H43F6N5O9/c42-40(43,44)25-8-4-10-27(16-25)49-38(57)51-29-21-59-30(19-53)32(48-18-22-12-14-24(15-13-22)23-6-2-1-3-7-23)36(29)61-37-33(35(56)34(55)31(20-54)60-37)52-39(58)50-28-11-5-9-26(17-28)41(45,46)47/h1-17,29-37,48,53-56H,18-21H2,(H2,49,51,57)(H2,50,52,58)/t29-,30+,31+,32-,33+,34+,35+,36+,37-/m0/s1