3-[4-azanyl-2-(2-hydroxyethyl)-5-sulfanyl-1,2,4-triazolidin-3-yl]propanoic acid

Systemtic Name: 3-[4-azanyl-2-(2-hydroxyethyl)-5-sulfanyl-1,2,4-triazolidin-3-yl]propanoic acid Openeye Name: 3-[4-amino-2-(2-hydroxyethyl)-5-sulfanyl-1,2,4-triazolidin-3-yl]propanoic acid CAS Name: 3-[4-amino-2-(2-hydroxyethyl)-5-mercapto-1,2,4-triazolidin-3-yl]propanoic acid IUPAC Name: 3-[4-amino-2-(2-hydroxyethyl)-5-sulfanyl-1,2,4-triazolidin-3-yl]propanoic acid Traditional Name: 3-[4-amino-2-(2-hydroxyethyl)-5-mercapto-1,2,4-triazolidin-3-yl]propionic acid Formula: C7H16N4O3S MolecularWeight: 236.29194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C1N(NC(N1N)S)CCO

Isomeric SMILES

C(CC(=O)O)C1N(NC(N1N)S)CCO

InChI

InChI=1S/C7H16N4O3S/c8-11-5(1-2-6(13)14)10(3-4-12)9-7(11)15/h5,7,9,12,15H,1-4,8H2,(H,13,14)