disodium [2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphate

Systemtic Name: disodium [2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphate Openeye Name: disodium [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphate CAS Name: disodium [3-hydroxy-4-[[3-(2-mercaptoethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] phosphate IUPAC Name: disodium [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphate Traditional Name: disodium [3-hydroxy-4-keto-4-[[3-keto-3-(2-mercaptoethylamino)propyl]amino]-2,2-dimethyl-butyl] phosphate Formula: C11H21N2Na2O7PS MolecularWeight: 402.311941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCS)O.[Na+].[Na+]

Isomeric SMILES

CC(C)(COP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCS)O.[Na+].[Na+]

InChI

InChI=1S/C11H23N2O7PS.2Na/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22;;/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19);;/q;2*+1/p-2