4-methylsulfonyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(2-pyridin-4-ylsulfanylethanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-[[2-(4-pyridylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[[2-(4-pyridylthio)acetyl]amino]butyric acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSC1=CC=NC=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CSC1=CC=NC=C1

InChI

InChI=1S/C12H16N2O5S2/c1-21(18,19)7-4-10(12(16)17)14-11(15)8-20-9-2-5-13-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15)(H,16,17)