[(2S)-1-[(2S,4R)-4-acetyloxy-2-[[5,5,6,6,6-pentakis(fluoranyl)-2-methyl-4-oxidanylidene-hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[(2S,4R)-4-acetyloxy-2-[[5,5,6,6,6-pentakis(fluoranyl)-2-methyl-4-oxidanylidene-hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(2S,4R)-4-acetoxy-2-[(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]ammonium chloride CAS Name: [(2S)-1-[(2S,4R)-4-acetyloxy-2-[oxo-[(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)amino]methyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[(2S,4R)-4-acetyloxy-2-[(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride Traditional Name: [(1S)-1-[(2S,4R)-4-acetoxy-2-[(3,3,4,4,4-pentafluoro-1-isopropyl-2-keto-butyl)carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]ammonium chloride Formula: C19H29ClF5N3O5 MolecularWeight: 509.895676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC(CC1C(=O)NC(C(C)C)C(=O)C(C(F)(F)F)(F)F)OC(=O)C)[NH3+].[Cl-]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC(C(C)C)C(=O)C(C(F)(F)F)(F)F)OC(=O)C)[NH3+].[Cl-]

InChI

InChI=1S/C19H28F5N3O5.ClH/c1-8(2)13(25)17(31)27-7-11(32-10(5)28)6-12(27)16(30)26-14(9(3)4)15(29)18(20,21)19(22,23)24;/h8-9,11-14H,6-7,25H2,1-5H3,(H,26,30);1H/t11-,12+,13+,14?;/m1./s1