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

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-(4-ketoquinazolin-3-yl)pentanoyl]amino]valeric acid Formula: C18H20FN3O5 MolecularWeight: 377.366903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O5/c1-2-5-14(17(26)21-13(8-16(24)25)15(23)9-19)22-10-20-12-7-4-3-6-11(12)18(22)27/h3-4,6-7,10,13-14H,2,5,8-9H2,1H3,(H,21,26)(H,24,25)/t13?,14-/m0/s1