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

Systemtic Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]glutarate Formula: C18H19N3O6S-2 MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-28-9-8-14(16(24)20-13(18(26)27)6-7-15(22)23)21-10-19-12-5-3-2-4-11(12)17(21)25/h2-5,10,13-14H,6-9H2,1H3,(H,20,24)(H,22,23)(H,26,27)/p-2/t13-,14-/m0/s1