3-[[3-[(2-tert-butylphenyl)carbamoyl]-5-ethyl-4H-1,2-oxazol-5-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[3-[(2-tert-butylphenyl)carbamoyl]-5-ethyl-4H-1,2-oxazol-5-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[3-[(2-tert-butylphenyl)carbamoyl]-5-ethyl-4H-isoxazole-5-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[3-[(2-tert-butylanilino)-oxomethyl]-5-ethyl-4H-isoxazol-5-yl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[3-[(2-tert-butylphenyl)carbamoyl]-5-ethyl-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[3-[(2-tert-butylphenyl)carbamoyl]-5-ethyl-2-isoxazoline-5-carbonyl]amino]-5-fluoro-4-keto-valeric acid Formula: C22H28FN3O6 MolecularWeight: 449.472623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=NO1)C(=O)NC2=CC=CC=C2C(C)(C)C)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CCC1(CC(=NO1)C(=O)NC2=CC=CC=C2C(C)(C)C)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C22H28FN3O6/c1-5-22(20(31)25-15(10-18(28)29)17(27)12-23)11-16(26-32-22)19(30)24-14-9-7-6-8-13(14)21(2,3)4/h6-9,15H,5,10-12H2,1-4H3,(H,24,30)(H,25,31)(H,28,29)