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

Systemtic Name: (3S)-3-[(5-ethyl-3-isoquinolin-1-yl-4H-1,2-oxazol-5-yl)carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[5-ethyl-3-(1-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: (3S)-3-[[[5-ethyl-3-(1-isoquinolinyl)-4H-isoxazol-5-yl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: (3S)-3-[(5-ethyl-3-isoquinolin-1-yl-4H-1,2-oxazole-5-carbonyl)amino]-5-fluoro-4-oxopentanoic acid Traditional Name: (3S)-3-[[5-ethyl-3-(1-isoquinolyl)-2-isoxazoline-5-carbonyl]amino]-5-fluoro-4-keto-valeric acid Formula: C20H20FN3O5 MolecularWeight: 401.388303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)O)C(=O)CF

InChI

InChI=1S/C20H20FN3O5/c1-2-20(19(28)23-14(9-17(26)27)16(25)11-21)10-15(24-29-20)18-13-6-4-3-5-12(13)7-8-22-18/h3-8,14H,2,9-11H2,1H3,(H,23,28)(H,26,27)/t14-,20?/m0/s1