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

Systemtic Name: (3S)-5-fluoranyl-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazol-5-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-fluoro-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-4H-isoxazole-5-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: (3S)-5-fluoro-3-[[[(5R)-3-(1-isoquinolinyl)-5-propan-2-yl-4H-isoxazol-5-yl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-5-fluoro-3-[[(5R)-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carbonyl]amino]-4-oxopentanoic acid Traditional Name: (3S)-5-fluoro-3-[[(5R)-5-isopropyl-3-(1-isoquinolyl)-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=NC=CC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CC(C)[C@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)O)C(=O)CF

InChI

InChI=1S/C21H22FN3O5/c1-12(2)21(20(29)24-15(9-18(27)28)17(26)11-22)10-16(25-30-21)19-14-6-4-3-5-13(14)7-8-23-19/h3-8,12,15H,9-11H2,1-2H3,(H,24,29)(H,27,28)/t15-,21+/m0/s1