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

Systemtic Name: 3-methyl-2-[[2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-oxoquinazolin-3-yl)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)-3-phenylpropyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-oxoquinazolin-3-yl)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-3-phenyl-propanoyl]amino]-3-methyl-butyric acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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