2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanedioic acid Openeye Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanedioic acid CAS Name: 2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]pentanedioic acid IUPAC Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]glutaric acid Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCCC(C(=O)NC(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)