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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[2-(4-oxoquinazolin-3-yl)hexanoylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)hexyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[2-(4-oxoquinazolin-3-yl)hexanoylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[2-(4-ketoquinazolin-3-yl)hexanoylamino]propionic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-2-3-12-22(29-15-27-20-11-7-5-9-18(20)24(29)31)23(30)28-21(25(32)33)13-16-14-26-19-10-6-4-8-17(16)19/h4-11,14-15,21-22,26H,2-3,12-13H2,1H3,(H,28,30)(H,32,33)