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

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde Openeye Name: 2-amino-3-sulfanyl-propanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde CAS Name: 2-amino-3-mercaptopropanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde IUPAC Name: 2-amino-3-sulfanylpropanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Traditional Name: 2-amino-3-mercapto-propionic acid; 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde Formula: C11H16N2O5S MolecularWeight: 288.32014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO3.C3H7NO2S/c1-5-8(12)7(4-11)6(3-10)2-9-5;4-2(1-7)3(5)6/h2,4,10,12H,3H2,1H3;2,7H,1,4H2,(H,5,6)