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

Systemtic Name: (2S)-4-methylsulfanyl-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]butanoate Traditional Name: (2S)-2-[4-(4-ketoquinazolin-3-yl)butanoylamino]-4-(methylthio)butyrate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CCCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H21N3O4S/c1-25-10-8-14(17(23)24)19-15(21)7-4-9-20-11-18-13-6-3-2-5-12(13)16(20)22/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,19,21)(H,23,24)/p-1/t14-/m0/s1