4-methylsulfanyl-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]butanoic acid Traditional Name: 2-[4-(4-ketoquinazolin-3-yl)butanoylamino]-4-(methylthio)butyric acid Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(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)