3-(1H-indol-3-yl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(2-mesitylacetyl)amino]propionic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C

InChI

InChI=1S/C22H24N2O3/c1-13-8-14(2)18(15(3)9-13)11-21(25)24-20(22(26)27)10-16-12-23-19-7-5-4-6-17(16)19/h4-9,12,20,23H,10-11H2,1-3H3,(H,24,25)(H,26,27)