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

Systemtic Name: (3S)-3-[(5-ethyl-3-isoquinolin-3-yl-4H-1,2-oxazol-5-yl)carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[5-ethyl-3-(3-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: (3S)-3-[[[5-ethyl-3-(3-isoquinolinyl)-4H-isoxazol-5-yl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: (3S)-3-[(5-ethyl-3-isoquinolin-3-yl-4H-1,2-oxazole-5-carbonyl)amino]-5-fluoro-4-oxopentanoic acid Traditional Name: (3S)-3-[[5-ethyl-3-(3-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=CC3=CC=CC=C3C=N2)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CCC1(CC(=NO1)C2=CC3=CC=CC=C3C=N2)C(=O)N[C@@H](CC(=O)O)C(=O)CF

InChI

InChI=1S/C20H20FN3O5/c1-2-20(19(28)23-15(8-18(26)27)17(25)10-21)9-16(24-29-20)14-7-12-5-3-4-6-13(12)11-22-14/h3-7,11,15H,2,8-10H2,1H3,(H,23,28)(H,26,27)/t15-,20?/m0/s1