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

Systemtic Name: (3S)-5-fluoranyl-4-oxidanylidene-3-[[(5R)-5-propan-2-yl-3-quinolin-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]pentanoic acid Openeye Name: (3S)-5-fluoro-3-[[(5R)-5-isopropyl-3-(2-quinolyl)-4H-isoxazole-5-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: (3S)-5-fluoro-4-oxo-3-[[oxo-[(5R)-5-propan-2-yl-3-(2-quinolinyl)-4H-isoxazol-5-yl]methyl]amino]pentanoic acid IUPAC Name: (3S)-5-fluoro-4-oxo-3-[[(5R)-5-propan-2-yl-3-quinolin-2-yl-4H-1,2-oxazole-5-carbonyl]amino]pentanoic acid Traditional Name: (3S)-5-fluoro-3-[[(5R)-5-isopropyl-3-(2-quinolyl)-2-isoxazoline-5-carbonyl]amino]-4-keto-valeric acid Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=NO1)C2=NC3=CC=CC=C3C=C2)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CC(C)[C@]1(CC(=NO1)C2=NC3=CC=CC=C3C=C2)C(=O)N[C@@H](CC(=O)O)C(=O)CF

InChI

InChI=1S/C21H22FN3O5/c1-12(2)21(20(29)24-16(9-19(27)28)18(26)11-22)10-17(25-30-21)15-8-7-13-5-3-4-6-14(13)23-15/h3-8,12,16H,9-11H2,1-2H3,(H,24,29)(H,27,28)/t16-,21+/m0/s1