3-[(2-ethyl-4-isoquinolin-1-yl-4-oxidanylidene-butanoyl)amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[(2-ethyl-4-isoquinolin-1-yl-4-oxidanylidene-butanoyl)amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-ethyl-4-(1-isoquinolyl)-4-oxo-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[2-ethyl-4-(1-isoquinolinyl)-1,4-dioxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[(2-ethyl-4-isoquinolin-1-yl-4-oxobutanoyl)amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[2-ethyl-4-(1-isoquinolyl)-4-keto-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C1=NC=CC2=CC=CC=C21)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CCC(CC(=O)C1=NC=CC2=CC=CC=C21)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C20H21FN2O5/c1-2-12(20(28)23-15(10-18(26)27)17(25)11-21)9-16(24)19-14-6-4-3-5-13(14)7-8-22-19/h3-8,12,15H,2,9-11H2,1H3,(H,23,28)(H,26,27)