3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-[2-[(3-methyl-1-oxobutyl)amino]ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-[2-(3-methylbutanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-[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=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(=O)NCCC1=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)O

InChI

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