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

Systemtic Name: 5-fluoranyl-3-[(4-isoquinolin-1-yl-4-oxidanylidene-2-propan-2-yl-butanoyl)amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[2-isopropyl-4-(1-isoquinolyl)-4-oxo-butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[4-(1-isoquinolinyl)-1,4-dioxo-2-propan-2-ylbutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[(4-isoquinolin-1-yl-4-oxo-2-propan-2-ylbutanoyl)amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-3-[[2-isopropyl-4-(1-isoquinolyl)-4-keto-butanoyl]amino]-4-keto-valeric acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O5/c1-12(2)15(21(29)24-16(10-19(27)28)18(26)11-22)9-17(25)20-14-6-4-3-5-13(14)7-8-23-20/h3-8,12,15-16H,9-11H2,1-2H3,(H,24,29)(H,27,28)