2-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-[4-(trifluoromethyloxy)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-[4-(trifluoromethyloxy)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-[4-(trifluoromethoxy)benzoyl]amino]acetic acid CAS Name: 2-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-[oxo-[4-(trifluoromethoxy)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-[4-(trifluoromethoxy)benzoyl]amino]acetic acid Traditional Name: 2-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-[4-(trifluoromethoxy)benzoyl]amino]acetic acid Formula: C22H19F5N4O5 MolecularWeight: 514.402076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(CC(=O)O)C(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(CC(=O)O)C(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H19F5N4O5/c1-13(21(35,10-30-12-28-11-29-30)17-7-4-15(23)8-18(17)24)31(9-19(32)33)20(34)14-2-5-16(6-3-14)36-22(25,26)27/h2-8,11-13,35H,9-10H2,1H3,(H,32,33)/t13-,21-/m1/s1