4-methylsulfanyl-2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[2-(4-oxoquinazolin-3-yl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-(4-oxoquinazolin-3-yl)propanoylamino]butanoic acid Traditional Name: 2-[2-(4-ketoquinazolin-3-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-10(14(20)18-13(16(22)23)7-8-24-2)19-9-17-12-6-4-3-5-11(12)15(19)21/h3-6,9-10,13H,7-8H2,1-2H3,(H,18,20)(H,22,23)