(2S)-4-methylsulfonyl-2-(pyridin-3-ylcarbonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(pyridin-3-ylcarbonylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(pyridine-3-carbonylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[oxo(3-pyridinyl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(pyridine-3-carbonylamino)butanoate Traditional Name: (2S)-4-mesyl-2-nicotinamido-butyrate Formula: C11H13N2O5S- MolecularWeight: 285.29632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CN=CC=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CN=CC=C1

InChI

InChI=1S/C11H14N2O5S/c1-19(17,18)6-4-9(11(15)16)13-10(14)8-3-2-5-12-7-8/h2-3,5,7,9H,4,6H2,1H3,(H,13,14)(H,15,16)/p-1/t9-/m0/s1