3-(1H-indol-3-yl)-2-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]propionic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4/c1-14(2)21(28-13-26-19-10-6-4-8-17(19)23(28)30)22(29)27-20(24(31)32)11-15-12-25-18-9-5-3-7-16(15)18/h3-10,12-14,20-21,25H,11H2,1-2H3,(H,27,29)(H,31,32)