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

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[(2S)-2-(4-oxidanylidene-6-propylsulfanyl-quinazolin-3-yl)butanoyl]amino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxo-6-propylsulfanyl-quinazolin-3-yl)butanoyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[(2S)-1-oxo-2-[4-oxo-6-(propylthio)-3-quinazolinyl]butyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[(2S)-2-(4-oxo-6-propylsulfanylquinazolin-3-yl)butanoyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[(2S)-2-[4-keto-6-(propylthio)quinazolin-3-yl]butanoyl]amino]valeric acid Formula: C20H24FN3O5S MolecularWeight: 437.485063

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N=CN(C2=O)C(CC)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N=CN(C2=O)[C@@H](CC)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C20H24FN3O5S/c1-3-7-30-12-5-6-14-13(8-12)20(29)24(11-22-14)16(4-2)19(28)23-15(9-18(26)27)17(25)10-21/h5-6,8,11,15-16H,3-4,7,9-10H2,1-2H3,(H,23,28)(H,26,27)/t15?,16-/m0/s1