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

Systemtic Name: 2-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c1-14(2)19(25-13-23-17-11-7-6-10-16(17)21(25)27)20(26)24-18(22(28)29)12-15-8-4-3-5-9-15/h3-11,13-14,18-19H,12H2,1-2H3,(H,24,26)(H,28,29)