3-[2-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[2-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[2-[2-(3-methylbutanoylamino)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[2-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[2-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[2-[2-(isovalerylamino)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propionic acid Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCC1=C(C2=CC=CC=C2N1CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC(C)CC(=O)NCCC1=C(C2=CC=CC=C2N1CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C24H29N3O3/c1-17(2)14-23(28)26-12-9-22-20(15-18-6-5-11-25-16-18)19-7-3-4-8-21(19)27(22)13-10-24(29)30/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,26,28)(H,29,30)