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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]propionic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N4O4/c26-19(11-25-12-23-17-8-4-2-6-15(17)20(25)27)24-18(21(28)29)9-13-10-22-16-7-3-1-5-14(13)16/h1-8,10,12,18,22H,9,11H2,(H,24,26)(H,28,29)