3-methyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]pentanoic acid Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-3-methyl-valeric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

InChI

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