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

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

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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

C[C@@H](C(=O)N[C@@H](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)/p-1/t10-,13-/m0/s1