2-[2-diethoxyphosphorylethanoyl-(phenylmethyl)amino]-2-(3-methylbutanoylamino)ethanoate

Systemtic Name: 2-[2-diethoxyphosphorylethanoyl-(phenylmethyl)amino]-2-(3-methylbutanoylamino)ethanoate Openeye Name: 2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-2-(3-methylbutanoylamino)acetate CAS Name: 2-[(2-diethoxyphosphoryl-1-oxoethyl)-(phenylmethyl)amino]-2-[(3-methyl-1-oxobutyl)amino]acetate IUPAC Name: 2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-2-(3-methylbutanoylamino)acetate Traditional Name: 2-[benzyl-(2-diethoxyphosphorylacetyl)amino]-2-(isovalerylamino)acetate Formula: C20H30N2O7P- MolecularWeight: 441.435161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)N(CC1=CC=CC=C1)C(C(=O)[O-])NC(=O)CC(C)C)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)N(CC1=CC=CC=C1)C(C(=O)[O-])NC(=O)CC(C)C)OCC

InChI

InChI=1S/C20H31N2O7P/c1-5-28-30(27,29-6-2)14-18(24)22(13-16-10-8-7-9-11-16)19(20(25)26)21-17(23)12-15(3)4/h7-11,15,19H,5-6,12-14H2,1-4H3,(H,21,23)(H,25,26)/p-1