3-(1H-indol-3-yl)-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]propionic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N4O4/c27-20(9-10-26-13-24-18-8-4-2-6-16(18)21(26)28)25-19(22(29)30)11-14-12-23-17-7-3-1-5-15(14)17/h1-8,12-13,19,23H,9-11H2,(H,25,27)(H,29,30)