5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(1-oxidanylidene-7-phenyl-isoquinolin-2-yl)butanoyl]amino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(1-oxidanylidene-7-phenyl-isoquinolin-2-yl)butanoyl]amino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-2-(1-oxo-7-phenyl-2-isoquinolyl)butanoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-(1-oxo-7-phenyl-2-isoquinolinyl)butyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(1-oxo-7-phenylisoquinolin-2-yl)butanoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-(1-keto-7-phenyl-2-isoquinolyl)butanoyl]amino]valeric acid Formula: C24H23FN2O5 MolecularWeight: 438.448223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1C=CC2=C(C1=O)C=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1C=CC2=C(C1=O)C=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H23FN2O5/c1-2-20(23(31)26-19(13-22(29)30)21(28)14-25)27-11-10-16-8-9-17(12-18(16)24(27)32)15-6-4-3-5-7-15/h3-12,19-20H,2,13-14H2,1H3,(H,26,31)(H,29,30)/t19?,20-/m0/s1