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

Systemtic Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-methyl-butyric acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CCSC)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CCSC)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H23N3O4S/c1-11(2)15(18(24)25)20-16(22)14(8-9-26-3)21-10-19-13-7-5-4-6-12(13)17(21)23/h4-7,10-11,14-15H,8-9H2,1-3H3,(H,20,22)(H,24,25)