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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-oxidanylidenequinazolin-3-yl)butanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[2-(4-oxoquinazolin-3-yl)butanoylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[2-(4-oxoquinazolin-3-yl)butanoylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[2-(4-ketoquinazolin-3-yl)butanoylamino]propionic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-2-20(27-13-25-18-10-6-4-8-16(18)22(27)29)21(28)26-19(23(30)31)11-14-12-24-17-9-5-3-7-15(14)17/h3-10,12-13,19-20,24H,2,11H2,1H3,(H,26,28)(H,30,31)