(2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-keto-1H-quinazolin-2-yl)propanoylamino]propionic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H20N4O4/c27-20(10-9-19-24-17-8-4-2-6-15(17)21(28)26-19)25-18(22(29)30)11-13-12-23-16-7-3-1-5-14(13)16/h1-8,12,18,23H,9-11H2,(H,25,27)(H,29,30)(H,24,26,28)/t18-/m0/s1