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

Systemtic Name: 3-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoic acid Openeye Name: 3-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid CAS Name: 3-[[3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoic acid IUPAC Name: 3-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid Traditional Name: 3-[[2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]propionic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC(=O)O)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)C(C(=O)NCCC(=O)O)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19N3O4/c1-10(2)14(15(22)17-8-7-13(20)21)19-9-18-12-6-4-3-5-11(12)16(19)23/h3-6,9-10,14H,7-8H2,1-2H3,(H,17,22)(H,20,21)