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

Systemtic Name: 3-[(5-ethyl-3-isoquinolin-1-ylcarbonyl-4H-1,2-oxazol-5-yl)carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[5-ethyl-3-(isoquinoline-1-carbonyl)-4H-isoxazole-5-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[5-ethyl-3-[1-isoquinolinyl(oxo)methyl]-4H-isoxazol-5-yl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[5-ethyl-3-(isoquinoline-1-carbonyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[5-ethyl-3-(isoquinoline-1-carbonyl)-2-isoxazoline-5-carbonyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H20FN3O6 MolecularWeight: 429.398403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=NO1)C(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CCC1(CC(=NO1)C(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C21H20FN3O6/c1-2-21(20(30)24-14(9-17(27)28)16(26)11-22)10-15(25-31-21)19(29)18-13-6-4-3-5-12(13)7-8-23-18/h3-8,14H,2,9-11H2,1H3,(H,24,30)(H,27,28)