3-methyl-2-[[2-(4-oxidanylidenequinazolin-3-yl)-2-phenyl-ethanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(4-oxidanylidenequinazolin-3-yl)-2-phenyl-ethanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-oxoquinazolin-3-yl)-2-phenyl-acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)-2-phenylethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-2-phenyl-acetyl]amino]-3-methyl-butyric acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O4/c1-13(2)17(21(27)28)23-19(25)18(14-8-4-3-5-9-14)24-12-22-16-11-7-6-10-15(16)20(24)26/h3-13,17-18H,1-2H3,(H,23,25)(H,27,28)