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

Systemtic Name: 2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]butanedioic acid Openeye Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanedioic acid CAS Name: 2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]butanedioic acid IUPAC Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]succinic acid Formula: C17H19N3O6S MolecularWeight: 393.41426

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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

CSCCC(C(=O)NC(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)