(2S)-4-methylsulfanyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4-(methylthio)butyrate Formula: C16H18N3O4S- MolecularWeight: 348.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@@H](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)/p-1/t13-/m0/s1