5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(1-oxidanylideneisoquinolin-2-yl)pentanoyl]amino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(1-oxidanylideneisoquinolin-2-yl)pentanoyl]amino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-2-(1-oxo-2-isoquinolyl)pentanoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-(1-oxo-2-isoquinolinyl)pentyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(1-oxoisoquinolin-2-yl)pentanoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-(1-keto-2-isoquinolyl)pentanoyl]amino]valeric acid Formula: C19H21FN2O5 MolecularWeight: 376.378843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC(=O)O)C(=O)CF)N1C=CC2=CC=CC=C2C1=O

Isomeric SMILES

CCC[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1C=CC2=CC=CC=C2C1=O

InChI

InChI=1S/C19H21FN2O5/c1-2-5-15(18(26)21-14(10-17(24)25)16(23)11-20)22-9-8-12-6-3-4-7-13(12)19(22)27/h3-4,6-9,14-15H,2,5,10-11H2,1H3,(H,21,26)(H,24,25)/t14?,15-/m0/s1