(2R)-2-azanyl-3-sulfanyl-propanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: (2R)-2-azanyl-3-sulfanyl-propanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carboxylic acid Openeye Name: (2R)-2-amino-3-sulfanyl-propanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carboxylic acid CAS Name: (2R)-2-amino-3-mercaptopropanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid IUPAC Name: (2R)-2-amino-3-sulfanylpropanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid Traditional Name: (2R)-2-amino-3-mercapto-propionic acid; 3-hydroxy-2-methyl-5-methylol-isonicotinic acid Formula: C11H16N2O6S MolecularWeight: 304.31954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C(=O)O)CO.C(C(C(=O)O)N)S

Isomeric SMILES

CC1=NC=C(C(=C1O)C(=O)O)CO.C([C@@H](C(=O)O)N)S

InChI

InChI=1S/C8H9NO4.C3H7NO2S/c1-4-7(11)6(8(12)13)5(3-10)2-9-4;4-2(1-7)3(5)6/h2,10-11H,3H2,1H3,(H,12,13);2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1