(2-azanyl-3-methyl-1-oxidanyl-1-phosphono-3-sulfanyl-butyl)phosphonic acid

Systemtic Name: (2-azanyl-3-methyl-1-oxidanyl-1-phosphono-3-sulfanyl-butyl)phosphonic acid Openeye Name: (2-amino-1-hydroxy-3-methyl-1-phosphono-3-sulfanyl-butyl)phosphonic acid CAS Name: (2-amino-1-hydroxy-3-mercapto-3-methyl-1-phosphonobutyl)phosphonic acid IUPAC Name: (2-amino-1-hydroxy-3-methyl-1-phosphono-3-sulfanylbutyl)phosphonic acid Traditional Name: (2-amino-1-hydroxy-3-mercapto-3-methyl-1-phosphono-butyl)phosphonic acid Formula: C5H15NO7P2S MolecularWeight: 295.187622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(O)(P(=O)(O)O)P(=O)(O)O)N)S

Isomeric SMILES

CC(C)(C(C(O)(P(=O)(O)O)P(=O)(O)O)N)S

InChI

InChI=1S/C5H15NO7P2S/c1-4(2,16)3(6)5(7,14(8,9)10)15(11,12)13/h3,7,16H,6H2,1-2H3,(H2,8,9,10)(H2,11,12,13)