5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-(4-ketoquinazolin-3-yl)butanoyl]amino]valeric acid Formula: C17H18FN3O5 MolecularWeight: 363.340323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H18FN3O5/c1-2-13(16(25)20-12(7-15(23)24)14(22)8-18)21-9-19-11-6-4-3-5-10(11)17(21)26/h3-6,9,12-13H,2,7-8H2,1H3,(H,20,25)(H,23,24)/t12?,13-/m0/s1