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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19N3O4S/c1-24-9-7-13(16(22)23)18-14(20)6-8-19-10-17-12-5-3-2-4-11(12)15(19)21/h2-5,10,13H,6-9H2,1H3,(H,18,20)(H,22,23)