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

Systemtic Name: 3-[2-(cyclobutylcarbonylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-(cyclobutanecarbonylamino)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[cyclobutyl(oxo)methyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-(cyclobutanecarbonylamino)ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-(cyclobutanecarbonylamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CC(C1)C(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H22N2O4S/c20-15(21)9-14(16(22)13-5-2-6-18-10-13)11-24-8-7-19-17(23)12-3-1-4-12/h2,5-6,10,12,14H,1,3-4,7-9,11H2,(H,19,23)(H,20,21)