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

Systemtic Name: 3-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]propanoic acid Openeye Name: 3-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]propanoic acid CAS Name: 3-[[3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]propanoic acid IUPAC Name: 3-[[3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]propanoic acid Traditional Name: 3-[[2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]propionic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-3-11(2)15(16(23)18-9-8-14(21)22)20-10-19-13-7-5-4-6-12(13)17(20)24/h4-7,10-11,15H,3,8-9H2,1-2H3,(H,18,23)(H,21,22)