3-[2-[cyclohexyl(ethanoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-[cyclohexyl(ethanoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[acetyl(cyclohexyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[acetyl(cyclohexyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[acetyl(cyclohexyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[acetyl(cyclohexyl)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:

CC(=O)N(CCSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C2CCCCC2

Isomeric SMILES

CC(=O)N(CCSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C2CCCCC2

InChI

InChI=1S/C20H28N2O4S/c1-15(23)22(18-7-3-2-4-8-18)10-11-27-14-17(12-19(24)25)20(26)16-6-5-9-21-13-16/h5-6,9,13,17-18H,2-4,7-8,10-12,14H2,1H3,(H,24,25)