aluminum 2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: aluminum 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: aluminum 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: aluminum 2-acetamido-3-(1H-indol-3-yl)propanoate IUPAC Name: aluminum 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: aluminum 2-acetamido-3-(1H-indol-3-yl)propionate Formula: C39H39AlN6O9 MolecularWeight: 762.743298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C13H14N2O3.Al/c3*1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;/h3*2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);/q;;;+3/p-3