disodium [1-(2-pentylsulfanylethanoylamino)-1-phenyl-propan-2-yl] phosphate

Systemtic Name: disodium [1-(2-pentylsulfanylethanoylamino)-1-phenyl-propan-2-yl] phosphate Openeye Name: disodium [1-methyl-2-[(2-pentylsulfanylacetyl)amino]-2-phenyl-ethyl] phosphate CAS Name: disodium [1-[[1-oxo-2-(pentylthio)ethyl]amino]-1-phenylpropan-2-yl] phosphate IUPAC Name: disodium [1-[(2-pentylsulfanylacetyl)amino]-1-phenylpropan-2-yl] phosphate Traditional Name: disodium [2-[[2-(amylthio)acetyl]amino]-1-methyl-2-phenyl-ethyl] phosphate Formula: C16H24NNa2O5PS MolecularWeight: 419.383761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC(=O)NC(C1=CC=CC=C1)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCSCC(=O)NC(C1=CC=CC=C1)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C16H26NO5PS.2Na/c1-3-4-8-11-24-12-15(18)17-16(13(2)22-23(19,20)21)14-9-6-5-7-10-14;;/h5-7,9-10,13,16H,3-4,8,11-12H2,1-2H3,(H,17,18)(H2,19,20,21);;/q;2*+1/p-2