3-[3-(2-cyclopentylethanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-(2-cyclopentylethanoylamino)phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[(2-cyclopentylacetyl)amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[(2-cyclopentyl-1-oxoethyl)amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[(2-cyclopentylacetyl)amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(2-cyclopentylacetyl)amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(C1)CC(=O)NC2=CC(=CC=C2)SC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N2O3S/c24-20(11-15-5-1-2-6-15)23-17-8-3-9-18(12-17)27-19(13-21(25)26)16-7-4-10-22-14-16/h3-4,7-10,12,14-15,19H,1-2,5-6,11,13H2,(H,23,24)(H,25,26)