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

Systemtic Name: (2S)-4-methylsulfonyl-2-(pyridin-4-ylcarbonylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-(pyridine-4-carbonylamino)butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[oxo(pyridin-4-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-(pyridine-4-carbonylamino)butanoate Traditional Name: (2S)-2-isonicotinamido-4-mesyl-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=CC=NC=C1

Isomeric SMILES

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

InChI

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