2-[(6-methylpyridin-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(6-methylpyridin-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(6-methylpyridine-3-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(6-methyl-3-pyridinyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(6-methylpyridine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[(6-methylnicotinoyl)amino]butyric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-8-3-4-9(7-13-8)11(15)14-10(12(16)17)5-6-20(2,18)19/h3-4,7,10H,5-6H2,1-2H3,(H,14,15)(H,16,17)