4-(2-dimethylaminoethylamino)-2-oxidanyl-2-phosphono-butanoic acid

Systemtic Name: 4-(2-dimethylaminoethylamino)-2-oxidanyl-2-phosphono-butanoic acid Openeye Name: 4-(2-dimethylaminoethylamino)-2-hydroxy-2-phosphono-butanoic acid CAS Name: 4-(2-dimethylaminoethylamino)-2-hydroxy-2-phosphonobutanoic acid IUPAC Name: 4-(2-dimethylaminoethylamino)-2-hydroxy-2-phosphonobutanoic acid Traditional Name: 4-(2-dimethylaminoethylamino)-2-hydroxy-2-phosphono-butyric acid Formula: C8H19N2O6P MolecularWeight: 270.220021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCCC(C(=O)O)(O)P(=O)(O)O

Isomeric SMILES

CN(C)CCNCCC(C(=O)O)(O)P(=O)(O)O

InChI

InChI=1S/C8H19N2O6P/c1-10(2)6-5-9-4-3-8(13,7(11)12)17(14,15)16/h9,13H,3-6H2,1-2H3,(H,11,12)(H2,14,15,16)