3-[2-(2-cyclohexylethanoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-(2-cyclohexylethanoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[(2-cyclohexylacetyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[(2-cyclohexyl-1-oxoethyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[(2-cyclohexylacetyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[(2-cyclohexylacetyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CCC(CC1)CC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H28N2O4S/c23-18(11-15-5-2-1-3-6-15)22-9-10-27-14-17(12-19(24)25)20(26)16-7-4-8-21-13-16/h4,7-8,13,15,17H,1-3,5-6,9-12,14H2,(H,22,23)(H,24,25)