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

Systemtic Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]succinate Formula: C17H17N3O6S-2 MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-27-7-6-13(15(23)19-12(17(25)26)8-14(21)22)20-9-18-11-5-3-2-4-10(11)16(20)24/h2-5,9,12-13H,6-8H2,1H3,(H,19,23)(H,21,22)(H,25,26)/p-2/t12-,13-/m0/s1