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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N4O4/c1-13(26-12-24-18-9-5-3-7-16(18)21(26)28)20(27)25-19(22(29)30)10-14-11-23-17-8-4-2-6-15(14)17/h2-9,11-13,19,23H,10H2,1H3,(H,25,27)(H,29,30)