2-acetamido-3-(1H-indol-3-yl)propanoate; titanium(2+)

Systemtic Name: 2-acetamido-3-(1H-indol-3-yl)propanoate; titanium(2+) Openeye Name: 2-acetamido-3-(1H-indol-3-yl)propanoate; titanium(2+) CAS Name: 2-acetamido-3-(1H-indol-3-yl)propanoate; titanium(2+) IUPAC Name: 2-acetamido-3-(1H-indol-3-yl)propanoate; titanium(2+) Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionate; titanium(2+) Formula: C26H26N4O6Ti MolecularWeight: 538.37484

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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-].[Ti+2]

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-].[Ti+2]

InChI

InChI=1S/2C13H14N2O3.Ti/c2*1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;/h2*2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);/q;;+2/p-2