3-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoate

Systemtic Name: 3-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoate Openeye Name: 3-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoate CAS Name: 3-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoate IUPAC Name: 3-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]propionate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC(=O)[O-])N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC(=O)[O-])N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19N3O4S/c1-24-9-7-13(15(22)17-8-6-14(20)21)19-10-18-12-5-3-2-4-11(12)16(19)23/h2-5,10,13H,6-9H2,1H3,(H,17,22)(H,20,21)/p-1/t13-/m0/s1