3-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]propanoic acid

Systemtic Name: 3-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]propanoic acid Openeye Name: 3-[6-(4-oxoquinazolin-3-yl)hexanoylamino]propanoic acid CAS Name: 3-[[1-oxo-6-(4-oxo-3-quinazolinyl)hexyl]amino]propanoic acid IUPAC Name: 3-[6-(4-oxoquinazolin-3-yl)hexanoylamino]propanoic acid Traditional Name: 3-[6-(4-ketoquinazolin-3-yl)hexanoylamino]propionic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCCC(=O)NCCC(=O)O

InChI

InChI=1S/C17H21N3O4/c21-15(18-10-9-16(22)23)8-2-1-5-11-20-12-19-14-7-4-3-6-13(14)17(20)24/h3-4,6-7,12H,1-2,5,8-11H2,(H,18,21)(H,22,23)