5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(4-oxidanylidene-6-phenylsulfanyl-quinazolin-3-yl)butanoyl]amino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(4-oxidanylidene-6-phenylsulfanyl-quinazolin-3-yl)butanoyl]amino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxo-6-phenylsulfanyl-quinazolin-3-yl)butanoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-[4-oxo-6-(phenylthio)-3-quinazolinyl]butyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxo-6-phenylsulfanylquinazolin-3-yl)butanoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-[4-keto-6-(phenylthio)quinazolin-3-yl]butanoyl]amino]valeric acid Formula: C23H22FN3O5S MolecularWeight: 471.501283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1C=NC2=C(C1=O)C=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1C=NC2=C(C1=O)C=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H22FN3O5S/c1-2-19(22(31)26-18(11-21(29)30)20(28)12-24)27-13-25-17-9-8-15(10-16(17)23(27)32)33-14-6-4-3-5-7-14/h3-10,13,18-19H,2,11-12H2,1H3,(H,26,31)(H,29,30)/t18?,19-/m0/s1