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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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